Geometry & MOs

Info

ID:	60618
PubChem CID:	26697290
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-126.29
Dipole, Da:	6.07
IP(EA), eV:	-8.41(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-(4-ethylphenyl)-4-oxophthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations