Geometry & MOs

Info

ID:	280546
PubChem CID:	103849834
Reduced:	ClNSO5C12H16 (1)
Stoich.:	ABCD5E12F16 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-133.0
Dipole, Da:	10.56
IP(EA), eV:	-10.01(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-hydroxycyclohexyl)methoxy]-4-methylbenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCOC1=CC(=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations