Geometry & MOs

Info

ID:	122569
PubChem CID:	50812728
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	399.098584
ΔH_f, kcal/mol:	-135.17
Dipole, Da:	4.83
IP(EA), eV:	-9.64(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-chlorophenyl)methyl]-7-cyclopropyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations