Geometry & MOs

Info

ID:	426342
PubChem CID:	135143530
Reduced:	NH19C24 (1)
Stoich.:	AB19C24 (1)
Weight, g/mol:	347.118925
ΔH_f, kcal/mol:	92.54
Dipole, Da:	1.78
IP(EA), eV:	-7.92(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C1CC2=C(C=C1C3=CC=CC=C3C4=CC=CC=C4)NC5=CC=CC=C25

DOS

IR

Vibrations