Geometry & MOs

Info

ID:	362109
PubChem CID:	127305791
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	399.190654
ΔH_f, kcal/mol:	-72.85
Dipole, Da:	2.52
IP(EA), eV:	-9.55(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C(C)C)C(=O)N3CCCC(C3)C(=O)N4CCCC4

DOS

IR

Vibrations