Geometry & MOs

Info

ID:	165517
PubChem CID:	74560407
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	4.57
IP(EA), eV:	-10.22(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-ethylpiperidin-4-yl)amino]phthalazine-1,4-dione

Drug info:

PubChemData

Smile

CC1=NCC(CC1)C(=O)O

DOS

IR

Vibrations