Geometry & MOs

Info

ID:	369725
PubChem CID:	127335155
Reduced:	ON4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-46.83
Dipole, Da:	5.97
IP(EA), eV:	-8.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylphenyl)-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)CC(C)C3CCCCC3

DOS

IR

Vibrations