Geometry & MOs

Info

ID:	448510
PubChem CID:	135291444
Reduced:	NC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	382.171499
ΔH_f, kcal/mol:	-2.76
Dipole, Da:	3.3
IP(EA), eV:	-8.43(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl [4-methyl-5-(3-methylbutan-2-yl)-1H-benzimidazol-2-yl]methylsulfanylformate

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1C(C)C)C)N

DOS

IR

Vibrations