Geometry & MOs

Info

ID:

427887

PubChem CID:

135164973

Reduced:

O3N7C30H40 (2)

Stoich.:

A3B7C30D40 (2)

Weight, g/mol:

255.219829

ΔHf, kcal/mol:

-144.46

Dipole, Da:

4.47

IP(EA), eV:

 -9.28(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-1-[(2S)-4-(2-methylpropoxy)-1-propan-2-ylpyrrolidin-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC2CC[C@H](N2C1=O)C(=O)N[C@@H](C3=CC=CC=C3)C4=CN(N=N4)CCCCC5=CC=C(C=C5)CCCCN6C=C(N=N6)[C@H](C7=CC=CC=C7)NC(=O)C8CCC9N8C(=O)C(CCC9)NC(=O)[C@H](C)NC)NC

DOS

IR

Vibrations