Geometry & MOs

Info

ID:	378907
PubChem CID:	134225010
Reduced:	N5H55C64 (1)
Stoich.:	A5B55C64 (1)
Weight, g/mol:	247.110947
ΔH_f, kcal/mol:	245.02
Dipole, Da:	6.48
IP(EA), eV:	-8.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(3-phenylphenyl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C/C=C\C=C(/C(=C)C1=NC(N=C(N1)C2=CC=CC=C2)C3=CC=CC=C3N4C5=CC=CC=C5C6=CC7=C(C=C64)C8=CC=CC=C8C7(C)C)\N9C1=CC=CC=C1C1=CC2=C(C=C19)C1=C(C2(C)C)CCCC1

DOS

IR

Vibrations