Geometry & MOs

Info

ID:	441080
PubChem CID:	135233022
Reduced:	IO2C25H33 (1)
Stoich.:	AB2C25D33 (1)
Weight, g/mol:	456.302831
ΔH_f, kcal/mol:	-51.84
Dipole, Da:	2.52
IP(EA), eV:	-8.63(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-[(3Z)-4-(4-ethylphenyl)-4-methoxybuta-1,3-dien-2-yl]-6-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)phenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OI)C(=C)CC(C2=CC=CC=C2)OC

DOS

IR

Vibrations