Geometry & MOs

Info

ID:	395547
PubChem CID:	135025769
Reduced:	N3C11H15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	404.125988
ΔH_f, kcal/mol:	48.37
Dipole, Da:	1.61
IP(EA), eV:	-8.7(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-3-(6-phenylmethoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2CN=CN2)C

DOS

IR

Vibrations