Geometry & MOs

Info

ID:	202968
PubChem CID:	79753859
Reduced:	OSN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-33.81
Dipole, Da:	3.21
IP(EA), eV:	-8.69(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanol

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CC(CSC(C)C)O

DOS

IR

Vibrations