Geometry & MOs

Info

ID:	139709
PubChem CID:	52583973
Reduced:	ClO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	426.19483
ΔH_f, kcal/mol:	-44.23
Dipole, Da:	3.46
IP(EA), eV:	-9.07(-0.29)
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,2S)-2-methylcyclopropanecarbonyl]amino]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)NC2=CC=CC(=C2)C(=O)NC[C@@H](C3=CC(=CC=C3)Cl)N4CCCC4

DOS

IR

Vibrations