Geometry & MOs

Info

ID:	282863
PubChem CID:	103942697
Reduced:	N2O2C9H18 (1)
Stoich.:	A2B2C9D18 (1)
Weight, g/mol:	228.183778
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	1.52
IP(EA), eV:	-9.4(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N1CCC(C1)CO)N

DOS

IR

Vibrations