Geometry & MOs

Info

ID:	187884
PubChem CID:	77638271
Reduced:	O2N6H10C11 (1)
Stoich.:	A2B6C10D11 (1)
Weight, g/mol:	500.207113
ΔH_f, kcal/mol:	46.22
Dipole, Da:	5.05
IP(EA), eV:	-9.6(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-6-oxo-1,3-diazinan-2-yl]-4-phenylmethoxypiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(C1N=C(N=N1)C2=CNC3=C2C=CC=N3)C(=O)O

DOS

IR

Vibrations