Geometry & MOs

Info

ID:	157651
PubChem CID:	56436306
Reduced:	ClO3N4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	418.177168
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	6.71
IP(EA), eV:	-8.54(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[4-(4-chlorophenoxy)butanoyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Cl)C4CCCCC4

DOS

IR

Vibrations