Geometry & MOs

Info

ID:	165056
PubChem CID:	74491501
Reduced:	ClO2N3C28H33 (1)
Stoich.:	AB2C3D28E33 (1)
Weight, g/mol:	423.239616
ΔH_f, kcal/mol:	-27.42
Dipole, Da:	3.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.134037
Charge, e:	1

Chem-info

IUPAC name:

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CC(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations