Geometry & MOs

Info

ID:	349670
PubChem CID:	127275822
Reduced:	SO2N5C18H23 (1)
Stoich.:	AB2C5D18E23 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-0.16
Dipole, Da:	2.45
IP(EA), eV:	-9.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations