Geometry & MOs

Info

ID:	17512
PubChem CID:	502457
Reduced:	N4O5H18C21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	406.12772
ΔH_f, kcal/mol:	-127.03
Dipole, Da:	5.05
IP(EA), eV:	-9.32(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)phenyl]-5-hydroxy-4-oxo-1H-pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1NC(=O)NC3=CC=CC(=C3)C4=NC(=O)C(=C(N4)C(=O)O)O

DOS

IR

Vibrations