Geometry & MOs

Info

ID:	405010
PubChem CID:	135072124
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	198.046973
ΔH_f, kcal/mol:	-58.9
Dipole, Da:	3.21
IP(EA), eV:	-9.16(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

buta-1,3-dienylcyclohexane;copper(1+)

Drug info:

PubChemData

Smile

CC(=O)C(C)(C(=O)N(C)C1=CC=CC=C1)Br

DOS

IR

Vibrations