Geometry & MOs

Info

ID:	223957
PubChem CID:	85336282
Reduced:	O2F3N3C20H20 (1)
Stoich.:	A2B3C3D20E20 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-209.87
Dipole, Da:	3.94
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-benzyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)NCC1CNC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations