Geometry & MOs

Info

ID:	122568
PubChem CID:	50812727
Reduced:	N4O7C25H26 (1)
Stoich.:	A4B7C25D26 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-206.34
Dipole, Da:	5.53
IP(EA), eV:	-8.57(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)CC3=C(OC(=N3)C4=C(C(=CC=C4)OC)OC)C)C

DOS

IR

Vibrations