Geometry & MOs

Info

ID:	205421
PubChem CID:	80097536
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-99.18
Dipole, Da:	1.58
IP(EA), eV:	-8.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-hydroxy-4-propan-2-ylcyclohexyl)methyl]phenol

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1=CC=C(C2=CC=CC=C21)OC)NC

DOS

IR

Vibrations