Geometry & MOs

Info

ID:	302925
PubChem CID:	124403690
Reduced:	SN2O4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	314.235814
ΔH_f, kcal/mol:	-148.19
Dipole, Da:	4.78
IP(EA), eV:	-8.81(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-methylpiperidin-1-yl]-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](C)NC(=O)[C@H](C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C)C

DOS

IR

Vibrations