Geometry & MOs

Info

ID:	426336
PubChem CID:	135143510
Reduced:	OPSF3N3C30H38 (1)
Stoich.:	ABCD3E3F30G38 (1)
Weight, g/mol:	452.200097
ΔH_f, kcal/mol:	-186.91
Dipole, Da:	4.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786319
Charge, e:	0

Chem-info

IUPAC name:

N-buta-1,3-dien-2-yl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline

Drug info:

PubChemData

Smile

CCNC1=C(C(=C(C=C1)C(C2=CC(=C(S2)C)CN3CCCC4=C([P+]3=O)C=C(C=C4)C(F)(F)F)C(C)(C)C)C)N

DOS

IR

Vibrations