Geometry & MOs

Info

ID:	438252
PubChem CID:	135227980
Reduced:	FNC7H16 (1)
Stoich.:	ABC7D16 (1)
Weight, g/mol:	241.132746
ΔH_f, kcal/mol:	-80.46
Dipole, Da:	2.37
IP(EA), eV:	-9.34(3.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-ethyl-5-methyltriazol-4-yl)-2-methyl-1H-benzimidazole

Drug info:

PubChemData

Smile

CC[C@@H](C)C(CCF)N

DOS

IR

Vibrations