Geometry & MOs

Info

ID:	355457
PubChem CID:	127288520
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-19.23
Dipole, Da:	2.99
IP(EA), eV:	-8.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-yl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations