Geometry & MOs

Info

ID:	207831
PubChem CID:	80456157
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	2.03
IP(EA), eV:	-7.88(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclobutylmethyl)-5-methoxy-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CC1(C2CCC(C2)(C1NC3=C(C=CC(=C3)OC)N)C)C

DOS

IR

Vibrations