Geometry & MOs

Info

ID:	441823
PubChem CID:	135245390
Reduced:	N5H35C48 (1)
Stoich.:	A5B35C48 (1)
Weight, g/mol:	491.09971
ΔH_f, kcal/mol:	266.17
Dipole, Da:	2.28
IP(EA), eV:	-9.15(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

C/C(=C(/C1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)\C5=CC=CC=C5C=C)/C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations