Geometry & MOs

Info

ID:	211705
PubChem CID:	81049975
Reduced:	ClNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	388.9749
ΔH_f, kcal/mol:	-42.81
Dipole, Da:	2.83
IP(EA), eV:	-8.62(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)Cl)C(=C(O2)CNC(C)(C)C)C

DOS

IR

Vibrations