Geometry & MOs

Info

ID:	405479
PubChem CID:	135074149
Reduced:	O4C29H36 (1)
Stoich.:	A4B29C36 (1)
Weight, g/mol:	308.141245
ΔH_f, kcal/mol:	-130.34
Dipole, Da:	1.78
IP(EA), eV:	-9.01(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-dihydroxy-4-methyl-3,5-bis(prop-2-enyl)phenyl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(C(=O)/C(=C(/C2=CC=CC=C2)\O)/C1=O)(CC=C(C)C)CC=C(C)C)OC)C

DOS

IR

Vibrations