Geometry & MOs

Info

ID:	157817
PubChem CID:	56437460
Reduced:	Cl2O3N4C21H26 (1)
Stoich.:	A2B3C4D21E26 (1)
Weight, g/mol:	406.181647
ΔH_f, kcal/mol:	-94.83
Dipole, Da:	7.54
IP(EA), eV:	-9.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations