Geometry & MOs

Info

ID:	399978
PubChem CID:	135044304
Reduced:	N2O3H8C11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-38.31
Dipole, Da:	2.3
IP(EA), eV:	-10.17(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-(furan-2-ylmethylamino)-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)O)C(C#N)C#N

DOS

IR

Vibrations