Geometry & MOs

Info

ID:	37898
PubChem CID:	8025396
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	-86.56
Dipole, Da:	2.64
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-phenyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations