Geometry & MOs

Info

ID:	26700
PubChem CID:	794674
Reduced:	N2O5H16C18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	316.050237
ΔH_f, kcal/mol:	-26.54
Dipole, Da:	7.32
IP(EA), eV:	-8.88(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(3,4-dimethoxyphenyl)chromen-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C(\C#N)/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

DOS

IR

Vibrations