Geometry & MOs

Info

ID:	313941
PubChem CID:	126619113
Reduced:	FN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	3.36
IP(EA), eV:	-8.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(6Z)-6-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3,4,7-tetrahydro-2,7-naphthyridin-2-yl]propanoate

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)C3=CC=C(C=C3)OCC4=CC(=CC=C4)F)C5CC(C5)C(=O)O

DOS

IR

Vibrations