Geometry & MOs

Info

ID:	267274
PubChem CID:	103581591
Reduced:	BrClN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	354.99747
ΔH_f, kcal/mol:	55.58
Dipole, Da:	5.27
IP(EA), eV:	-9.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-3,4-dimethoxyaniline

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations