Geometry & MOs

Info

ID:	157652
PubChem CID:	56436313
Reduced:	ClO3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-92.3
Dipole, Da:	8.56
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)Cl

DOS

IR

Vibrations