Geometry & MOs

Info

ID:	371632
PubChem CID:	131269278
Reduced:	NBr2O3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	224.071641
ΔH_f, kcal/mol:	-19.97
Dipole, Da:	6.49
IP(EA), eV:	-10.45(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-amino-4-hydroxybutan-2-yl]-5-chlorobenzonitrile

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=CC(=C1)[N+](=O)[O-])Br)Br

DOS

IR

Vibrations