Geometry & MOs

Info

ID:	396244
PubChem CID:	135027860
Reduced:	N3O3H17C22 (1)
Stoich.:	A3B3C17D22 (1)
Weight, g/mol:	558.2341
ΔH_f, kcal/mol:	24.67
Dipole, Da:	5.7
IP(EA), eV:	-8.87(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-morpholin-4-yl-3,5-bis(4-phenylphenyl)thiophen-2-yl]morpholine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(C=C2)CC(C3=CC4=C(C=C3)OCO4)C(C#N)C#N

DOS

IR

Vibrations