Geometry & MOs

Info

ID:	157728
PubChem CID:	56436813
Reduced:	ClSO4N5C19H24 (1)
Stoich.:	ABC4D5E19F24 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-110.0
Dipole, Da:	5.94
IP(EA), eV:	-9.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCC(CC2)CNC(=O)C3=CN(N=C3)C

DOS

IR

Vibrations