Geometry & MOs

Info

ID:	24241
PubChem CID:	608662
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	11.97
Dipole, Da:	2.34
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(N=C(N2)C(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations