Geometry & MOs

Info

ID:	208284
PubChem CID:	80512380
Reduced:	OSN5C10H15 (1)
Stoich.:	ABC5D10E15 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	8.67
Dipole, Da:	6.21
IP(EA), eV:	-9.09(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-aminocyclohexyl)amino]pyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

CCCNC(=O)CNC1=C(C=CN=N1)C(=S)N

DOS

IR

Vibrations