Geometry & MOs

Info

ID:	15504
PubChem CID:	442816
Reduced:	NO6C26H29 (1)
Stoich.:	AB6C26D29 (1)
Weight, g/mol:	451.199488
ΔH_f, kcal/mol:	-188.86
Dipole, Da:	7.77
IP(EA), eV:	-8.87(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-amino-3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenyl]-4,5-dihydroxychromen-7-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(=C(C(=C1O)N)OC)CC=C(C)C)C2=COC3=CC(=O)C=C(C3=C2O)O)C

DOS

IR

Vibrations