Geometry & MOs

Info

ID:	419809
PubChem CID:	135109127
Reduced:	ClFN2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	5.45
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-(3-carbamoyl-5,6-dimethylpyridin-2-yl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations