Geometry & MOs

Info

ID:	448334
PubChem CID:	135290205
Reduced:	BrClNO2C19H21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	421.857
ΔH_f, kcal/mol:	-31.38
Dipole, Da:	2.86
IP(EA), eV:	-9.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-5-chloro-2-iodo-4-phenylmethoxybenzene

Drug info:

PubChemData

Smile

CC1(CC[C@H](N1O)C2=CC(=C(C=C2Br)Cl)OCC3=CC=CC=C3)C

DOS

IR

Vibrations