Geometry & MOs

Info

ID:	58240
PubChem CID:	24434850
Reduced:	O4N5H21C25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	437.148789
ΔH_f, kcal/mol:	38.86
Dipole, Da:	5.12
IP(EA), eV:	-9.36(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C(=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)/C)[N+](=O)[O-]

DOS

IR

Vibrations