Geometry & MOs

Info

ID:	157816
PubChem CID:	56437457
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	452.138196
ΔH_f, kcal/mol:	-27.15
Dipole, Da:	1.44
IP(EA), eV:	-9.12(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[4-(2,3-dichlorophenoxy)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CSC=N4

DOS

IR

Vibrations