Geometry & MOs

Info

ID:	58243
PubChem CID:	24434854
Reduced:	O3N5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	438.169191
ΔH_f, kcal/mol:	22.32
Dipole, Da:	2.64
IP(EA), eV:	-8.91(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2/C(=N/NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)/C1=O

DOS

IR

Vibrations