Geometry & MOs

Info

ID:	125978
PubChem CID:	50946395
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	302.235814
ΔH_f, kcal/mol:	-122.05
Dipole, Da:	0.59
IP(EA), eV:	-9.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenyl)-N-(1-methylpiperidin-4-yl)propanamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C

DOS

IR

Vibrations