Geometry & MOs

Info

ID:	327535
PubChem CID:	126690280
Reduced:	INSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	237.116507
ΔH_f, kcal/mol:	41.11
Dipole, Da:	2.34
IP(EA), eV:	-8.8(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-5-(4-fluorophenyl)pent-1-enyl]amino]acetic acid

Drug info:

PubChemData

Smile

C/C=C(/C)\C=C/C(SCC=N/C(=C\C)/C)I

DOS

IR

Vibrations