Geometry & MOs

Info

ID:	177593
PubChem CID:	76202844
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	237.086189
ΔH_f, kcal/mol:	-30.23
Dipole, Da:	4.27
IP(EA), eV:	-8.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxo-N-(1H-pyrazol-4-ylmethyl)-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

C1C(CNN1)CNC(=O)C=CC2=CC=C(C=C2)O

DOS

IR

Vibrations