Geometry & MOs

Info

ID:	258352
PubChem CID:	103153129
Reduced:	FNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	256.117155
ΔH_f, kcal/mol:	-213.27
Dipole, Da:	5.13
IP(EA), eV:	-9.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[3-(triazol-1-yl)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations