Geometry & MOs

Info

ID:	313917
PubChem CID:	126618927
Reduced:	ClFN3O3C25H25 (1)
Stoich.:	ABC3D3E25F25 (1)
Weight, g/mol:	345.14887
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	6.78
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2E)-2-(2-fluoro-4-oxocyclohexa-2,5-dien-1-ylidene)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC(CC(=O)O)CN1CCC2=NC(=NC=C2C1)C3=C(C=C(C=C3)OCC4=CC(=CC=C4)Cl)F

DOS

IR

Vibrations