Geometry & MOs

Info

ID:

415594

PubChem CID:

135088592

Reduced:

N7O7C38H49 (1)

Stoich.:

A7B7C38D49 (1)

Weight, g/mol:

367.225977

ΔHf, kcal/mol:

-204.86

Dipole, Da:

7.98

IP(EA), eV:

 -8.21(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[cyclopentyl(methyl)amino]-1-[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)C(=O)N[C@H]2CCCNC(=O)COC3=C(C=CC(=C3)CCCNC(=O)[C@H](NC(=O)[C@@H](NC2=O)CC4=CC=CC=C4)C(C)C)OC

DOS

IR

Vibrations