Geometry & MOs

Info

ID:	44070
PubChem CID:	10500649
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	391.114376
ΔH_f, kcal/mol:	-120.33
Dipole, Da:	1.67
IP(EA), eV:	-9.14(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-hydroxy-3,5-dimethylphenyl)-3-phenyl-1-(2,2,2-trifluoroacetyl)-2,6-dihydro-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N

DOS

IR

Vibrations