Geometry & MOs

Info

ID:	188368
PubChem CID:	77705491
Reduced:	SN2O4C30H40 (1)
Stoich.:	AB2C4D30E40 (1)
Weight, g/mol:	253.147807
ΔH_f, kcal/mol:	-155.11
Dipole, Da:	1.99
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-2-(pentylamino)propanoic acid

Drug info:

PubChemData

Smile

CCC(C1=CN=C(S1)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)OC

DOS

IR

Vibrations