Geometry & MOs

Info

ID:	184842
PubChem CID:	77218296
Reduced:	CoIN2O2C20H22 (1)
Stoich.:	ABC2D2E20F22 (1)
Weight, g/mol:	370.156039
ΔH_f, kcal/mol:	-22.3
Dipole, Da:	30.55
IP(EA), eV:	-11.57(-6.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[3-(2-cyano-4-phenylphenyl)pyrrolidin-3-yl]propanamide;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC=C2C=CC=CC2=O)NC=C3C=CC=CC3=O.[Co].[I-]

DOS

IR

Vibrations