Geometry & MOs

Info

ID:	120727
PubChem CID:	50742269
Reduced:	NO3C31H45 (1)
Stoich.:	AB3C31D45 (1)
Weight, g/mol:	295.11392
ΔH_f, kcal/mol:	-126.67
Dipole, Da:	5.15
IP(EA), eV:	-8.59(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-amine;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCOC(=O)C1=CC(=O)/C(=C\NC2=CC=CC=C2)/C=C1

DOS

IR

Vibrations