Geometry & MOs

Info

ID:	132503
PubChem CID:	51371622
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	252.113687
ΔH_f, kcal/mol:	-74.66
Dipole, Da:	4.59
IP(EA), eV:	-8.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-[[(3-methyl-1H-benzimidazol-3-ium-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)CN2C3=C(NC(=O)N(C3NC2=S)C)O

DOS

IR

Vibrations