Geometry & MOs

Info

ID:	200854
PubChem CID:	79454231
Reduced:	ClNC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	302.04369
ΔH_f, kcal/mol:	14.12
Dipole, Da:	3.23
IP(EA), eV:	-9.24(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(1-chloro-5,5-dimethylhexan-2-yl)benzene

Drug info:

PubChemData

Smile

CCC(C)N1C=CC(=N1)CC(CCl)C2=CC=CC=C2Cl

DOS

IR

Vibrations