Geometry & MOs

Info

ID:	206643
PubChem CID:	80277614
Reduced:	OSN2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	227.069477
ΔH_f, kcal/mol:	-37.82
Dipole, Da:	2.49
IP(EA), eV:	-8.98(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanoimidazol-1-yl)-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CN(C)CCO

DOS

IR

Vibrations