Geometry & MOs

Info

ID:	139707
PubChem CID:	52583912
Reduced:	ClN2O2H17C20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	426.19483
ΔH_f, kcal/mol:	-28.34
Dipole, Da:	6.01
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(3-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)NCCNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations