Geometry & MOs

Info

ID:	56670
PubChem CID:	17510352
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-61.39
Dipole, Da:	5.72
IP(EA), eV:	-9.21(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-4-nitrophenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=CC=C2)C(=O)CNC(=O)CNC(=O)C3=CC=CS3

DOS

IR

Vibrations