Geometry & MOs

Info

ID:	205785
PubChem CID:	80157305
Reduced:	FN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	295.089167
ΔH_f, kcal/mol:	-54.05
Dipole, Da:	8.05
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3H-benzimidazol-5-amine

Drug info:

PubChemData

Smile

CCC1CCC(CC1)N(C)CC2=CC(=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations