Geometry & MOs

Info

ID:	406719
PubChem CID:	135078446
Reduced:	SN2O4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	7.86
IP(EA), eV:	-9.47(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-2-ethyl-2-methyl-4-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C\CN2C(=O)C3=CC=CC=C3C2=O)CC#C

DOS

IR

Vibrations