Geometry & MOs

Info

ID:	406046
PubChem CID:	135076337
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	438.14765
ΔH_f, kcal/mol:	-16.49
Dipole, Da:	5.24
IP(EA), eV:	-8.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6,6-bis[(2-methylphenyl)methyl]cyclohexen-1-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(=O)/C=C/1\CCCN1C2=CC=CC=C2Br

DOS

IR

Vibrations