Geometry & MOs

Info

ID:	126967
PubChem CID:	50985866
Reduced:	O3N4C27H28 (1)
Stoich.:	A3B4C27D28 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-54.82
Dipole, Da:	9.55
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R)-1-benzoylpyrrolidine-2-carbonyl]-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@H]2CCCN2C(=O)C3=CC=CC4=CC=CC=C43)C(=O)NCC5=CC=NC=C5

DOS

IR

Vibrations