Geometry & MOs

Info

ID:	58251
PubChem CID:	24434869
Reduced:	NOC7H7 (4)
Stoich.:	ABC7D7 (4)
Weight, g/mol:	470.195405
ΔH_f, kcal/mol:	-24.64
Dipole, Da:	2.86
IP(EA), eV:	-8.15(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)OC

DOS

IR

Vibrations