Geometry & MOs

Info

ID:	81256
PubChem CID:	49854515
Reduced:	O3N5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	477.27399
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	3.85
IP(EA), eV:	-9.08(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5,7-dimethyl-2-oxo-4-[4-(2-phenylethyl)piperazin-1-yl]-1-prop-2-enyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCN1CC2=C(C1=O)C(=C3C(=O)NC(=O)N(C3=N2)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations