Geometry & MOs

Info

ID:	192289
PubChem CID:	78253076
Reduced:	ClN5O5C22H26 (1)
Stoich.:	AB5C5D22E26 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	-142.25
Dipole, Da:	4.66
IP(EA), eV:	-9.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-acetyl-3-phenyl-1,3-dihydropyrazol-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COCC1CC(=O)NC(N1)N=C(NC2=CC(=CC=C2)Cl)NC(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations