Geometry & MOs

Info

ID:	17416
PubChem CID:	497232
Reduced:	O5H16C18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	312.099774
ΔH_f, kcal/mol:	-142.91
Dipole, Da:	5.31
IP(EA), eV:	-8.43(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]chromen-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=C(OC3=C(C2=O)C=CC(=C3)OC)O

DOS

IR

Vibrations