Geometry & MOs

Info

ID:	267263
PubChem CID:	103581575
Reduced:	BrClON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	291.00255
ΔH_f, kcal/mol:	-39.54
Dipole, Da:	3.34
IP(EA), eV:	-9.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxyethanamine

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=C(C=C1)Br)Cl)C(=O)N

DOS

IR

Vibrations