Geometry & MOs

Info

ID:	58250
PubChem CID:	24434868
Reduced:	O3N5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	484.211055
ΔH_f, kcal/mol:	45.47
Dipole, Da:	8.34
IP(EA), eV:	-8.46(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C(=C2C=C1)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

DOS

IR

Vibrations