Geometry & MOs

Info

ID:	38085
PubChem CID:	8026893
Reduced:	N4O6H16C19 (1)
Stoich.:	A4B6C16D19 (1)
Weight, g/mol:	375.042212
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	5.56
IP(EA), eV:	-9.71(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32)C

DOS

IR

Vibrations