Geometry & MOs

Info

ID:	178264
PubChem CID:	76306651
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	353.12498
ΔH_f, kcal/mol:	48.57
Dipole, Da:	4.34
IP(EA), eV:	-8.64(0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-N-prop-2-ynyl-4aH-pyrido[2,3-d]pyrimidin-1-ium-7-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CC2C(=O)N(C)CCCC3CC(NN3)C4=CC=CC=C4

DOS

IR

Vibrations