Geometry & MOs

Info

ID:	184143
PubChem CID:	77117415
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-128.4
Dipole, Da:	7.69
IP(EA), eV:	-9.21(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperidin-1-yl)-4,7-dioxo-5-(4-propoxyphenyl)-1,6-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C2NC3C(C(C(C(=O)N3)C#N)C4=CC=C(C=C4)C)C(=O)N2

DOS

IR

Vibrations