Geometry & MOs

Info

ID:	198018
PubChem CID:	79032154
Reduced:	NC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	267.138992
ΔH_f, kcal/mol:	-9.7
Dipole, Da:	1.13
IP(EA), eV:	-8.58(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[[(4,4-dimethylcyclohexyl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NCC2=C(C=C(C=C2)C)C

DOS

IR

Vibrations