Geometry & MOs

Info

ID:	37002
PubChem CID:	8016049
Reduced:	O3N4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	322.084124
ΔH_f, kcal/mol:	-55.95
Dipole, Da:	7.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752407
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)furo[3,2-g]chromen-7-one

Drug info:

PubChemData

Smile

C[NH+](C)CCCNC1=NC(=O)N2CCC3=CC(=C(C=C3C2=C1)OC)OC

DOS

IR

Vibrations