Geometry & MOs

Info

ID:	138285
PubChem CID:	52340414
Reduced:	N2O4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	394.10842
ΔH_f, kcal/mol:	-91.87
Dipole, Da:	4.16
IP(EA), eV:	-8.49(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-5-benzoyl-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)[C@@H]2CCN3C2=CC=C3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations