Geometry & MOs

Info

ID:	397809
PubChem CID:	135030764
Reduced:	O3Cl6C11H12 (1)
Stoich.:	A3B6C11D12 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-144.14
Dipole, Da:	4.35
IP(EA), eV:	-10.48(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-6-phenyl-2,5-dihydro-1,2,4-triazin-3-one

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](CC[C@@H]2[C@H]1O2)[C@@H](C(Cl)(Cl)Cl)O)C(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations