Geometry & MOs

Info

ID:	396327
PubChem CID:	135028066
Reduced:	O6C25H26 (1)
Stoich.:	A6B25C26 (1)
Weight, g/mol:	362.151809
ΔH_f, kcal/mol:	-174.7
Dipole, Da:	6.92
IP(EA), eV:	-8.59(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2-[(E)-2-phenylethenyl]chromen-4-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=C2C(=C1O)C(=O)C=C(O2)/C=C/C3=CC(=C(C=C3)OC)OC)OC)C

DOS

IR

Vibrations