Geometry & MOs

Info

ID:	177073
PubChem CID:	76132278
Reduced:	Br2N2O3H8C11 (1)
Stoich.:	A2B2C3D8E11 (1)
Weight, g/mol:	295.214744
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	3.66
IP(EA), eV:	-10.1(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-6-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-4-methylhexanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=O)N=C2C(=CC(=CC2=N1)Br)Br

DOS

IR

Vibrations