Geometry & MOs

Info

ID:	224945
PubChem CID:	85734966
Reduced:	BCl4H27C32 (1)
Stoich.:	AB4C27D32 (1)
Weight, g/mol:	281.179107
ΔH_f, kcal/mol:	1.91
Dipole, Da:	1.6
IP(EA), eV:	-8.81(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B(C1=CC2=CC=CC=C2C3=CC=CC=C13)(C4=C(C(=C(C(=C4C)Cl)C)Cl)C)C5=C(C(=C(C(=C5C)Cl)C)Cl)C

DOS

IR

Vibrations