Geometry & MOs

Info

ID:	38007
PubChem CID:	8026346
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	425.198894
ΔH_f, kcal/mol:	-19.02
Dipole, Da:	7.07
IP(EA), eV:	-8.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations