Geometry & MOs

Info

ID:	270388
PubChem CID:	103636331
Reduced:	BrNOF3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	367.07586
ΔH_f, kcal/mol:	-195.81
Dipole, Da:	2.76
IP(EA), eV:	-9.12(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations