Geometry & MOs

Info

ID:	438130
PubChem CID:	135227753
Reduced:	BrSN3H18C31 (1)
Stoich.:	ABC3D18E31 (1)
Weight, g/mol:	539.09971
ΔH_f, kcal/mol:	178.19
Dipole, Da:	2.58
IP(EA), eV:	-8.68(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=NC(=NC(=N3)C4=CC5=C(C=C4)SC6=CC=CC=C65)C7=CC=C(C=C7)Br

DOS

IR

Vibrations