Geometry & MOs

Info

ID:	392932
PubChem CID:	135018563
Reduced:	N3O4H27C29 (1)
Stoich.:	A3B4C27D29 (1)
Weight, g/mol:	454.046941
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	3.06
IP(EA), eV:	-8.94(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(4-cyanophenyl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ide-6-carboxylate;rubidium(1+)

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(C2=CCN(CC2)C(=O)OCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations