Geometry & MOs

Info

ID:	192070
PubChem CID:	78222247
Reduced:	O4N5H23C24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	384.106984
ΔH_f, kcal/mol:	-45.09
Dipole, Da:	4.23
IP(EA), eV:	-8.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,3,7-trimethyl-5-(3-nitrophenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)C=NNC(=O)CCC4C(=O)NC(=O)NN4

DOS

IR

Vibrations