Geometry & MOs

Info

ID:	383379
PubChem CID:	134975070
Reduced:	NO2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	318.053693
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757289
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phenylphenyl)-2-thiophen-3-ylthiophene

Drug info:

PubChemData

Smile

CC(C)[C@@]1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C[OH2+]

DOS

IR

Vibrations