Geometry & MOs

Info

ID:	379394
PubChem CID:	134419288
Reduced:	N2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	29.92
Dipole, Da:	3.57
IP(EA), eV:	-9.17(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-hydroxyphenyl)ethyl]-2,5-dimethylphenol

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CC/C(=C/C)/C)C2=NC=CN2

DOS

IR

Vibrations