Geometry & MOs

Info

ID:

418771

PubChem CID:

135106782

Reduced:

O6N7C35H45 (1)

Stoich.:

A6B7C35D45 (1)

Weight, g/mol:

379.225977

ΔHf, kcal/mol:

-220.08

Dipole, Da:

4.52

IP(EA), eV:

 -8.62(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropyl-[4-[[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CN2C=CC3=CC=CC=C32)C)CC4=CC=CC=C4

DOS

IR

Vibrations