Geometry & MOs

Info

ID:	390676
PubChem CID:	135000330
Reduced:	OSeN2C22H25 (1)
Stoich.:	ABC2D22E25 (1)
Weight, g/mol:	421.0581
ΔH_f, kcal/mol:	9.93
Dipole, Da:	5.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.004703
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-4-(4-phenylphenyl)-1,3-selenazole

Drug info:

PubChemData

Smile

CCCCC[N+]1=C([Se]C2=CC=CC=C21)/C=C/N(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations