Geometry & MOs

Info

ID:	35583
PubChem CID:	7980063
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	5.1
IP(EA), eV:	-9.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-tert-butylbenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NNC(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations