Geometry & MOs

Info

ID:	138616
PubChem CID:	52394715
Reduced:	ON3C19H30 (1)
Stoich.:	AB3C19D30 (1)
Weight, g/mol:	313.202836
ΔH_f, kcal/mol:	8.54
Dipole, Da:	3.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752532
Charge, e:	1

Chem-info

IUPAC name:

N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-(prop-2-enylamino)-N-propylbenzamide

Drug info:

PubChemData

Smile

CC(C)C[NH+]1CCCN(CC1)C(=O)C2=CC=CC=C2NCC=C

DOS

IR

Vibrations