Geometry & MOs

Info

ID:	280004
PubChem CID:	103846289
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	-21.53
Dipole, Da:	2.85
IP(EA), eV:	-9.43(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=C(C=N1)CNCCCCCCO

DOS

IR

Vibrations