Geometry & MOs

Info

ID:	411524
PubChem CID:	135084356
Reduced:	BrKO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	293.07791
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	9.15
IP(EA), eV:	-8.86(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4,4-dimethylcyclohex-2-en-1-yl)-N-methylaniline

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)C(=O)[O-].[K+]

DOS

IR

Vibrations