Geometry & MOs

Info

ID:	56671
PubChem CID:	17511203
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-14.89
Dipole, Da:	8.96
IP(EA), eV:	-8.61(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-hydroxycyclohexyl)methyl]phenol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN(C)CC2=CC=CC=C2N3CCCCC3

DOS

IR

Vibrations