Geometry & MOs

Info

ID:	130660
PubChem CID:	51091922
Reduced:	ClNSO3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-109.3
Dipole, Da:	5.25
IP(EA), eV:	-9.66(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC=C1)C(=O)NCCS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations