Geometry & MOs

Info

ID:	57780
PubChem CID:	24277280
Reduced:	O3N5C9H9 (1)
Stoich.:	A3B5C9D9 (1)
Weight, g/mol:	321.14887
ΔH_f, kcal/mol:	-18.62
Dipole, Da:	2.36
IP(EA), eV:	-10.55(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(diethylaminomethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=NN1C2=NC(=O)C=NN2)C(=O)O

DOS

IR

Vibrations