Geometry & MOs

Info

ID:	397812
PubChem CID:	135030774
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	3.1
IP(EA), eV:	-9.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2CC(=NNC2=O)C3=CC=CC=C3

DOS

IR

Vibrations