Geometry & MOs

Info

ID:	402505
PubChem CID:	135056221
Reduced:	FNCl2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	319.05718
ΔH_f, kcal/mol:	-20.86
Dipole, Da:	2.82
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(4-bromophenyl)propyl]-4-methoxyaniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CCl)NC2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations