Geometry & MOs

Info

ID:	145250
PubChem CID:	53487614
Reduced:	NCl2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	245.98109
ΔH_f, kcal/mol:	-157.49
Dipole, Da:	7.04
IP(EA), eV:	-9.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-tert-butyl-2-chlorobenzene

Drug info:

PubChemData

Smile

C1COCCN1CCC(C2=CC=C(C=C2)Cl)C(=O)O.Cl

DOS

IR

Vibrations