Geometry & MOs

Info

ID:	411071
PubChem CID:	135083881
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	238.04667
ΔH_f, kcal/mol:	15.17
Dipole, Da:	5.09
IP(EA), eV:	-8.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butylcyclohexane;chlorozinc(1+)

Drug info:

PubChemData

Smile

CN1C(=CC2=C1C=C(C=C2)Br)COCC=C

DOS

IR

Vibrations