Geometry & MOs

Info

ID:	58253
PubChem CID:	24434872
Reduced:	O4N5C27H27 (1)
Stoich.:	A4B5C27D27 (1)
Weight, g/mol:	442.164105
ΔH_f, kcal/mol:	-44.37
Dipole, Da:	4.51
IP(EA), eV:	-8.78(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-N'-[(1Z)-1-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(/C(=C(\C)/NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)/N=C1C)C

DOS

IR

Vibrations