Geometry & MOs

Info

ID:	375202
PubChem CID:	131472841
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	284.01604
ΔH_f, kcal/mol:	-38.72
Dipole, Da:	5.15
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(5-bromo-2-hydroxy-3-methoxy-4-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)C(CN)C#N)O)OC

DOS

IR

Vibrations