Geometry & MOs

Info

ID:	357144
PubChem CID:	127293370
Reduced:	BrN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	353.140927
ΔH_f, kcal/mol:	-82.74
Dipole, Da:	1.29
IP(EA), eV:	-9.55(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(oxolan-3-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCOC1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations