Geometry & MOs

Info

ID:	208240
PubChem CID:	80508280
Reduced:	N5C16H27 (1)
Stoich.:	A5B16C27 (1)
Weight, g/mol:	279.075625
ΔH_f, kcal/mol:	42.96
Dipole, Da:	1.93
IP(EA), eV:	-8.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]pyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)NCC(C)(C)CN(C)C)CC

DOS

IR

Vibrations