Geometry & MOs

Info

ID:	202605
PubChem CID:	79698010
Reduced:	ClNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	308.079092
ΔH_f, kcal/mol:	-14.31
Dipole, Da:	3.88
IP(EA), eV:	-8.72(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-3-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCNC(C1=CC=C(C=C1)C)C2=CC(=C(C=C2)Cl)OC

DOS

IR

Vibrations