Geometry & MOs

Info

ID:	140914
PubChem CID:	52783433
Reduced:	N2O2C20H25 (1)
Stoich.:	A2B2C20D25 (1)
Weight, g/mol:	430.02767
ΔH_f, kcal/mol:	-6.62
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755543
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-bromo-2-hydroxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C[NH+](CCC2=CC=CC=C2)CC=C

DOS

IR

Vibrations