Geometry & MOs

Info

ID:	292943
PubChem CID:	117365783
Reduced:	SN3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	245.087435
ΔH_f, kcal/mol:	54.08
Dipole, Da:	3.21
IP(EA), eV:	-8.13(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-isocyanatocyclobutyl)-2-methyl-2,3-dihydro-1-benzothiophene

Drug info:

PubChemData

Smile

CC1CC2=C(S1)C=C(C=C2)C3=NN(C(=C3)N)C

DOS

IR

Vibrations