Geometry & MOs

Info

ID:	397932
PubChem CID:	135031049
Reduced:	ClO2N5C10H12 (1)
Stoich.:	AB2C5D10E12 (1)
Weight, g/mol:	312.038236
ΔH_f, kcal/mol:	-21.45
Dipole, Da:	3.93
IP(EA), eV:	-9.46(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-3-(2-nitrophenyl)chromen-2-one

Drug info:

PubChemData

Smile

CC(=O)N(C)CN1C=NC2=C1N=C(N=C2OC)Cl

DOS

IR

Vibrations