Geometry & MOs

Info

ID:	375444
PubChem CID:	131529715
Reduced:	NO3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	259.9352
ΔH_f, kcal/mol:	-126.22
Dipole, Da:	1.44
IP(EA), eV:	-9.14(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(4-bromo-5-chloro-2-hydroxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1[C@@H](C(=O)OC)N)C)O

DOS

IR

Vibrations