Geometry & MOs

Info

ID:	123538
PubChem CID:	50853281
Reduced:	F2N3H7C8 (1)
Stoich.:	A2B3C7D8 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-30.95
Dipole, Da:	2.91
IP(EA), eV:	-8.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC(=C(C=C2C(=N1)N)F)F

DOS

IR

Vibrations