Geometry & MOs

Info

ID:	193133
PubChem CID:	78349407
Reduced:	ClO4N5C17H22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	412.138284
ΔH_f, kcal/mol:	-134.37
Dipole, Da:	5.07
IP(EA), eV:	-9.36(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

5-(4-methoxy-1,3-dimethyl-2,6-dioxopyrimidin-3-ium-5-ylidene)-1,3-dimethyl-4aH-chromeno[2,3-d]pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CN1C2C(N=C1NCC(CO)O)N(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C

DOS

IR

Vibrations