Geometry & MOs

Info

ID:	216380
PubChem CID:	85086131
Reduced:	Cl2N2O3H6C9 (1)
Stoich.:	A2B2C3D6E9 (1)
Weight, g/mol:	260.04119
ΔH_f, kcal/mol:	-22.41
Dipole, Da:	4.86
IP(EA), eV:	-9.85(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-(bromomethyl)but-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC=C(C=O)[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations