Geometry & MOs

Info

ID:	185617
PubChem CID:	77321067
Reduced:	FINO2C20H23 (1)
Stoich.:	ABCD2E20F23 (1)
Weight, g/mol:	297.059028
ΔH_f, kcal/mol:	-73.59
Dipole, Da:	1.13
IP(EA), eV:	-8.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-(4-thiophen-3-ylphenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

C1CNCC(C1C2=CC=C(C=C2)OCCCOC3=CC=CC=C3F)I

DOS

IR

Vibrations