Geometry & MOs

Info

ID:	184331
PubChem CID:	77145906
Reduced:	O2C11H11 (2)
Stoich.:	A2B11C11 (2)
Weight, g/mol:	410.172939
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	5.3
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-2,2-dimethylchromen-8-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1(C=CC2=C(C=CC(=C2O1)C(=O)C=CC3=CC(=CC=C3)OC)OC)C

DOS

IR

Vibrations