Geometry & MOs

Info

ID:	437665
PubChem CID:	135226772
Reduced:	BrNSO2C14H14 (1)
Stoich.:	ABCD2E14F14 (1)
Weight, g/mol:	240.136159
ΔH_f, kcal/mol:	-9.89
Dipole, Da:	6.05
IP(EA), eV:	-8.31(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-2-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CS(=NC1=CC(=C(C=C1)OC2=CC=CC=C2)Br)(=O)C

DOS

IR

Vibrations