Geometry & MOs

Info

ID:	278084
PubChem CID:	103833246
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	212.188863
ΔH_f, kcal/mol:	-46.07
Dipole, Da:	4.23
IP(EA), eV:	-8.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-3-methylpentan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NCC(C2=CSC=C2)O)N

DOS

IR

Vibrations