Geometry & MOs

Info

ID:	206653
PubChem CID:	80278080
Reduced:	ClOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	-37.91
Dipole, Da:	1.92
IP(EA), eV:	-9.16(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1(CC(C=C(C1)C2=CC=C(S2)Cl)O)C

DOS

IR

Vibrations