Geometry & MOs

Info

ID:	27869
PubChem CID:	823947
Reduced:	OSN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-46.89
Dipole, Da:	3.8
IP(EA), eV:	-8.67(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aR)-7a-methyl-1-oxido-2-phenyl-4,5,6,7-tetrahydrobenzimidazol-1-ium

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=S)NC(=O)C(C)C

DOS

IR

Vibrations