Geometry & MOs

Info

ID:	369748
PubChem CID:	127335197
Reduced:	ClON4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	20.68
Dipole, Da:	5.53
IP(EA), eV:	-8.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-cyclohexylacetyl)amino]-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CC3C4=CC(=CC=C4)Cl

DOS

IR

Vibrations