Geometry & MOs

Info

ID:	390027
PubChem CID:	134996683
Reduced:	OPSC19H25 (1)
Stoich.:	ABCD19E25 (1)
Weight, g/mol:	429.314398
ΔH_f, kcal/mol:	-75.66
Dipole, Da:	4.04
IP(EA), eV:	-8.48(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diphenyl-3-tetradecyl-1,2,4-triazine

Drug info:

PubChemData

Smile

CC(C)(C)[P@](=S)(C)CC(C1=CC=CC=C1)(C2=CC=CC=C2)O

DOS

IR

Vibrations