Geometry & MOs

Info

ID:	141418
PubChem CID:	52875035
Reduced:	OCl2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	316.166117
ΔH_f, kcal/mol:	-6.86
Dipole, Da:	9.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.102983
Charge, e:	1

Chem-info

IUPAC name:

2,4-dimethoxy-N-(5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1CC[N+]2=C(C1)NC(=C2)CNC(=O)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations