Geometry & MOs

Info

ID:	193100
PubChem CID:	78343556
Reduced:	ClN2O8C33H37 (1)
Stoich.:	AB2C8D33E37 (1)
Weight, g/mol:	293.152812
ΔH_f, kcal/mol:	-278.14
Dipole, Da:	5.99
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-methylphenyl)ethenyl]-3-phenyl-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N(CC2CCCO2)CC(=O)N(CC3=CC4=C(C=C3)OCO4)CC5=COC6CCC(CC6C5=O)Cl

DOS

IR

Vibrations