Geometry & MOs

Info

ID:	261911
PubChem CID:	103258696
Reduced:	FO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	223.100857
ΔH_f, kcal/mol:	-72.87
Dipole, Da:	4.39
IP(EA), eV:	-10.13(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)F)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations