Geometry & MOs

Info

ID:	18972
PubChem CID:	551950
Reduced:	BrNOC13H22 (1)
Stoich.:	ABCD13E22 (1)
Weight, g/mol:	287.08848
ΔH_f, kcal/mol:	-60.1
Dipole, Da:	6.55
IP(EA), eV:	-9.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-N-ethyl-3a,6,6-trimethyl-4,5,7,7a-tetrahydro-3H-1-benzofuran-2-imine

Drug info:

PubChemData

Smile

CCN=C1CC2(CCC(C(C2O1)Br)(C)C)C

DOS

IR

Vibrations