Geometry & MOs

Info

ID:	165234
PubChem CID:	74519787
Reduced:	ClNO5H20C25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	315.029835
ΔH_f, kcal/mol:	-106.46
Dipole, Da:	5.04
IP(EA), eV:	-8.87(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-5-nitrophenyl)methylidene]chromen-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2COC3=CC=CC=C3C2=O)OCC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations