Geometry & MOs

Info

ID:	198607
PubChem CID:	79124900
Reduced:	ClNOC18H24 (1)
Stoich.:	ABCD18E24 (1)
Weight, g/mol:	285.209264
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	4.86
IP(EA), eV:	-9.7(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[hydroxy-(2,4,6-trimethylphenyl)methyl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)(C#N)C(C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations