Geometry & MOs

Info

ID:	267246
PubChem CID:	103581508
Reduced:	BrClN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	344.97429
ΔH_f, kcal/mol:	44.95
Dipole, Da:	3.49
IP(EA), eV:	-8.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations