Geometry & MOs

Info

ID:	267277
PubChem CID:	103581601
Reduced:	BrClN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	352.03419
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	2.55
IP(EA), eV:	-8.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCC(=O)N)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations