Geometry & MOs

Info

ID:	371682
PubChem CID:	131270418
Reduced:	BrNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	238.99458
ΔH_f, kcal/mol:	-43.53
Dipole, Da:	5.64
IP(EA), eV:	-8.47(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-4-hydroxy-2-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC(=CC(=C1)NC)Br

DOS

IR

Vibrations