Geometry & MOs

Info

ID:	61962
PubChem CID:	26716331
Reduced:	SN3O3C19H31 (1)
Stoich.:	AB3C3D19E31 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-129.88
Dipole, Da:	6.75
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC(C)(C)N2CCCCC2

DOS

IR

Vibrations