Geometry & MOs

Info

ID:	184140
PubChem CID:	77117178
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-22.51
Dipole, Da:	7.32
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCCCN1C2=NC(=O)C3=C(C(C(=O)N=C3N2)C#N)C4=CC=C(C=C4)OCC

DOS

IR

Vibrations