Geometry & MOs

Info

ID:	173710
PubChem CID:	75672511
Reduced:	O2N5H18C20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	423.200786
ΔH_f, kcal/mol:	62.37
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.181979
Charge, e:	1

Chem-info

IUPAC name:

N-cyclohexyl-5-[[3-(trifluoromethoxy)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-1-ium-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(CC1C3=NC(=NO3)C4=CC5=CC=CC=C5C=C4)[NH+]=CN2

DOS

IR

Vibrations