Geometry & MOs

Info

ID:	322034
PubChem CID:	126668346
Reduced:	BrFNO2H17C18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	516.215526
ΔH_f, kcal/mol:	-76.0
Dipole, Da:	3.96
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-[(3S)-pyrrolidin-3-yl]oxypropan-1-amine

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Br)F)NC2=CC=CC(=C2)/C=C/C(=O)OC

DOS

IR

Vibrations