Geometry & MOs

Info

ID:

328161

PubChem CID:

126692715

Reduced:

O7N9C68H87 (1)

Stoich.:

A7B9C68D87 (1)

Weight, g/mol:

522.320606

ΔHf, kcal/mol:

-260.23

Dipole, Da:

5.39

IP(EA), eV:

 -9.17(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3,3-dimethyl-2-(methylamino)butanoyl]-5-formylpyrrolidin-3-yl]-4-[[1-(2-methoxyphenyl)ethyl-methylamino]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(C1=CC=CC=C1)C2=CC=CC=C2)N(CC3=CC=C(C=C3)C(=O)N[C@H]4CC(N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]5CCCC6=CC=CC=C56)C(=O)[C@@H]7CC8=CC=CC=C8CN7C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC

DOS

IR

Vibrations