Geometry & MOs

Info

ID:	333527
PubChem CID:	127252079
Reduced:	O4N5C23H25 (1)
Stoich.:	A4B5C23D25 (1)
Weight, g/mol:	444.190989
ΔH_f, kcal/mol:	-124.27
Dipole, Da:	3.82
IP(EA), eV:	-9.41(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-methyl-7-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)N1CCC(C1)C2=NC3=C(C=C2)C(=O)N(C(=O)N3CC4=CC=CC=C4)C

DOS

IR

Vibrations