Geometry & MOs

Info

ID:	150223
PubChem CID:	53789910
Reduced:	ClO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	334.119654
ΔH_f, kcal/mol:	-99.09
Dipole, Da:	6.02
IP(EA), eV:	-8.84(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-methyl-1-(2-morpholin-4-ylethyl)-1,2,4-triazin-6-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C=C(C=C2)CC(=O)O)Cl

DOS

IR

Vibrations