Geometry & MOs

Info

ID:	270404
PubChem CID:	103636427
Reduced:	NOF3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	323.126376
ΔH_f, kcal/mol:	-207.19
Dipole, Da:	1.06
IP(EA), eV:	-8.88(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CCNC(CCOCC(F)(F)F)CC1=CC=CC(=C1)C

DOS

IR

Vibrations