Geometry & MOs

Info

ID:	268878
PubChem CID:	103601518
Reduced:	BrClNO2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	338.01854
ΔH_f, kcal/mol:	-40.93
Dipole, Da:	8.09
IP(EA), eV:	-8.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-chloro-N-[[4-(dimethylamino)phenyl]methyl]aniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC2=CC(=C(C=C2)Br)Cl)OC

DOS

IR

Vibrations