Geometry & MOs

Info

ID:	130313
PubChem CID:	51075576
Reduced:	NSO2C7H8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	2.15
IP(EA), eV:	-9.49(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CC=CO3

DOS

IR

Vibrations