Geometry & MOs

Info

ID:	372378
PubChem CID:	131296680
Reduced:	NCl2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	246.99966
ΔH_f, kcal/mol:	-82.27
Dipole, Da:	1.44
IP(EA), eV:	-9.86(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-1-methyl-3,4-dihydronaphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C(=N1)Cl)C(=O)OC)Cl

DOS

IR

Vibrations