Geometry & MOs

Info

ID:	158967
PubChem CID:	57244317
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	391.262363
ΔH_f, kcal/mol:	-86.61
Dipole, Da:	6.73
IP(EA), eV:	-8.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[3-[[[(2S,3S)-2-phenylpiperidin-3-yl]amino]methyl]-4-propan-2-yloxyphenyl]propanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)SC1=NC2=CC=CC=C2N1

DOS

IR

Vibrations