Geometry & MOs

Info

ID:	25164
PubChem CID:	620502
Reduced:	SN4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	91.15
Dipole, Da:	5.58
IP(EA), eV:	-8.6(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2,3,6-trimethylphenol

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)N=CC2=C(NC3=CC=CC=C32)C

DOS

IR

Vibrations