Geometry & MOs

Info

ID:	2053
PubChem CID:	5675
Reduced:	O5C24H28 (1)
Stoich.:	A5B24C28 (1)
Weight, g/mol:	396.193674
ΔH_f, kcal/mol:	-180.54
Dipole, Da:	4.62
IP(EA), eV:	-8.83(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-dihydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)phenyl]-(4-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(=C(C(=C1OC)CC=C(C)C)O)C(=O)C2=CC=C(C=C2)O)O)C

DOS

IR

Vibrations