Geometry & MOs

Info

ID:	25892
PubChem CID:	632655
Reduced:	NO6H17C20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	443.69082
ΔH_f, kcal/mol:	-160.38
Dipole, Da:	3.18
IP(EA), eV:	-8.26(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(tribromomethyl)-4-(trichloromethyl)benzene

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=CC4=C(C5=C(C=C4CCN3C2=O)OCO5)OC)O

DOS

IR

Vibrations