Geometry & MOs

Info

ID:	376572
PubChem CID:	134222592
Reduced:	N4O4C15H18 (1)
Stoich.:	A4B4C15D18 (1)
Weight, g/mol:	322.107733
ΔH_f, kcal/mol:	-121.49
Dipole, Da:	4.81
IP(EA), eV:	-9.3(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-5-methylphenyl)methyl]-3-hydroxy-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCNC1=C(C(=O)N(C(=O)N1)O)C(=O)NCC2=CC=CC(=C2)C

DOS

IR

Vibrations