Geometry & MOs

Info

ID:	38368
PubChem CID:	8033179
Reduced:	NO2F3C4H6 (1)
Stoich.:	AB2C3D4E6 (1)
Weight, g/mol:	357.145047
ΔH_f, kcal/mol:	-251.98
Dipole, Da:	5.36
IP(EA), eV:	-10.97(0.09)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,6R)-6-[(1-methoxycarbonyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@](C(=O)O)(C(F)(F)F)N

DOS

IR

Vibrations