Geometry & MOs

Info

ID:	302945
PubChem CID:	124403793
Reduced:	ClNO3H26C28 (1)
Stoich.:	ABC3D26E28 (1)
Weight, g/mol:	350.235814
ΔH_f, kcal/mol:	-56.85
Dipole, Da:	2.17
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(1S)-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC=C(C=C4)OCC5=CC=C(C=C5)Cl

DOS

IR

Vibrations