Geometry & MOs

Info

ID:	196606
PubChem CID:	78852746
Reduced:	ClNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	388.166604
ΔH_f, kcal/mol:	-77.94
Dipole, Da:	4.09
IP(EA), eV:	-9.43(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)Cl)C(=O)C2=CC=C(O2)COC

DOS

IR

Vibrations