Geometry & MOs

Info

ID:	141419
PubChem CID:	52875036
Reduced:	N3O3C17H22 (1)
Stoich.:	A3B3C17D22 (1)
Weight, g/mol:	334.0555
ΔH_f, kcal/mol:	-66.1
Dipole, Da:	6.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939956
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NCC2=C[N+]3=C(N2)CCCC3)OC

DOS

IR

Vibrations