Geometry & MOs

Info

ID:	175292
PubChem CID:	75879974
Reduced:	O2N4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	405.265437
ΔH_f, kcal/mol:	-30.33
Dipole, Da:	1.71
IP(EA), eV:	-8.66(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-ethylbenzimidazol-1-yl)-N-[[4-[(3-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations