Geometry & MOs

Info

ID:	382867
PubChem CID:	134974265
Reduced:	NO2C23H29 (1)
Stoich.:	AB2C23D29 (1)
Weight, g/mol:	294.144222
ΔH_f, kcal/mol:	-31.68
Dipole, Da:	3.88
IP(EA), eV:	-8.73(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-tert-butyl-3-methyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C/C(C1=CC=CC=C1)N(CC=C)CC2=CC=CC=C2)/O

DOS

IR

Vibrations