Geometry & MOs

Info

ID:	129985
PubChem CID:	51074482
Reduced:	OSN3H9C14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	62.53
Dipole, Da:	2.73
IP(EA), eV:	-8.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(4-methylphenyl)-N-(1-methylpiperidin-4-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=NC3=C(C2=O)SC=C3)C#N

DOS

IR

Vibrations