Geometry & MOs

Info

ID:	161322
PubChem CID:	57391336
Reduced:	O5N6C8H8 (1)
Stoich.:	A5B6C8D8 (1)
Weight, g/mol:	403.090331
ΔH_f, kcal/mol:	80.3
Dipole, Da:	3.57
IP(EA), eV:	-9.73(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-6,7,8-trimethoxy-3-(4-methoxy-3-nitrophenyl)chromen-4-one

Drug info:

PubChemData

Smile

CC1=[N+](ON=C1/C=N/NC(=O)C2=NO[N+](=C2C)[O-])[O-]

DOS

IR

Vibrations