Geometry & MOs

Info

ID:	228071
PubChem CID:	87563319
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	565.230074
ΔH_f, kcal/mol:	61.83
Dipole, Da:	4.56
IP(EA), eV:	-8.84(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-but-3-ynyl-4-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

C1CNCCC1C2=N/C(=C/3\C=CC=CN3O)/N=N2

DOS

IR

Vibrations