Geometry & MOs

Info

ID:	132911
PubChem CID:	51445000
Reduced:	O2N3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	410.122634
ΔH_f, kcal/mol:	-23.49
Dipole, Da:	3.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.037882
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=[N+](C=C1)C(=O)C(=C(N2)C)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations