Geometry & MOs

Info

ID:	369563
PubChem CID:	127334618
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	316.226312
ΔH_f, kcal/mol:	-8.22
Dipole, Da:	4.94
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylcyclohexyl)-N-(1-pyridazin-3-ylpiperidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)NC3CCCN(C3)C4=NN=CC=C4

DOS

IR

Vibrations