Geometry & MOs

Info

ID:	204859
PubChem CID:	80022133
Reduced:	SN2O2C9H12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	-27.41
Dipole, Da:	1.55
IP(EA), eV:	-9.25(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5,6-dimethylbenzimidazol-1-yl)methyl]cyclopropyl]methanethiol

Drug info:

PubChemData

Smile

C1CC1(CN2C(=O)C=CC(=O)N2)CS

DOS

IR

Vibrations