Geometry & MOs

Info

ID:	224957
PubChem CID:	85735134
Reduced:	FNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	317.155785
ΔH_f, kcal/mol:	-119.27
Dipole, Da:	2.76
IP(EA), eV:	-9.66(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptan-2-yl 2-amino-3-(4-fluorophenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

CCCC=CCOC(=O)C(CC1=CC=C(C=C1)F)N

DOS

IR

Vibrations