Geometry & MOs

Info

ID:	270789
PubChem CID:	103638127
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	353.06021
ΔH_f, kcal/mol:	5.58
Dipole, Da:	1.13
IP(EA), eV:	-8.91(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCNC(C1=CCCCC1)C2=C(N=C(C=C2)C)C

DOS

IR

Vibrations