Geometry & MOs

Info

ID:	282862
PubChem CID:	103942653
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	186.136828
ΔH_f, kcal/mol:	16.47
Dipole, Da:	3.06
IP(EA), eV:	-9.53(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=N1)C(=O)[C@H](C2=CC=CC=C2)N

DOS

IR

Vibrations