Geometry & MOs

Info

ID:	355742
PubChem CID:	127290041
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	346.156039
ΔH_f, kcal/mol:	-50.43
Dipole, Da:	5.44
IP(EA), eV:	-8.78(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)CN3CCN4C=NN=C4C3

DOS

IR

Vibrations