Geometry & MOs

Info

ID:	407883
PubChem CID:	135080638
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	238.99458
ΔH_f, kcal/mol:	-121.46
Dipole, Da:	5.34
IP(EA), eV:	-9.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(3-bromophenyl)-2-hydroxy-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(=O)OC[C@]1(CCC2=CC=CC=C2C1=O)C

DOS

IR

Vibrations