Geometry & MOs

Info

ID:	143073
PubChem CID:	53142474
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	406.131091
ΔH_f, kcal/mol:	5.81
Dipole, Da:	5.48
IP(EA), eV:	-8.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN2C(=O)N3C=CN=C(C3=N2)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations