Geometry & MOs

Info

ID:	58248
PubChem CID:	24434866
Reduced:	O3N5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	493.138619
ΔH_f, kcal/mol:	46.64
Dipole, Da:	8.61
IP(EA), eV:	-8.29(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=O)N=C2C(=C1)C)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations