Geometry & MOs

Info

ID:	313903
PubChem CID:	126618847
Reduced:	F3N3O3H22C24 (1)
Stoich.:	A3B3C3D22E24 (1)
Weight, g/mol:	359.089304
ΔH_f, kcal/mol:	-200.89
Dipole, Da:	3.74
IP(EA), eV:	-9.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-3-fluoro-4-(5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations