Geometry & MOs

Info

ID:	312621
PubChem CID:	126606834
Reduced:	OC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	478.28718
ΔH_f, kcal/mol:	-96.96
Dipole, Da:	3.33
IP(EA), eV:	-9.64(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl)-[3-[[3-[(2,6-dimethylphenyl)-hydroxymethyl]-2,4-dimethylphenyl]methyl]-5-methylphenyl]methanol

Drug info:

PubChemData

Smile

CC1CC2CC(C(C(C1)C2)CC(=O)C(C3=CC=CC=C3)O)C

DOS

IR

Vibrations