Geometry & MOs

Info

ID:	199242
PubChem CID:	79222396
Reduced:	NOSC13H21 (1)
Stoich.:	ABCD13E21 (1)
Weight, g/mol:	287.145619
ΔH_f, kcal/mol:	-30.19
Dipole, Da:	0.83
IP(EA), eV:	-8.46(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine

Drug info:

PubChemData

Smile

CCOCC(C)NCCSC1=CC=CC=C1

DOS

IR

Vibrations