Geometry & MOs

Info

ID:	56691
PubChem CID:	22387979
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	372.118401
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	4.54
IP(EA), eV:	-8.87(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-3-[(4-phenylphenyl)methyl]-1-benzothiophene-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C=CC(=CC2=NN1)C(=O)OC

DOS

IR

Vibrations