Geometry & MOs

Info

ID:	197965
PubChem CID:	79023081
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-25.49
Dipole, Da:	1.89
IP(EA), eV:	-8.45(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CN(N=C1)C(C)C)N

DOS

IR

Vibrations