Geometry & MOs

Info

ID:	188497
PubChem CID:	77724134
Reduced:	NSO5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	297.118735
ΔH_f, kcal/mol:	-147.01
Dipole, Da:	0.47
IP(EA), eV:	-8.53(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzothiophen-5-yloxy)-4-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CC(CC(C1=CC=CC=C1)OC2=CC3=C(C=C2)SC=C3)N.C(=O)(C(=O)O)O

DOS

IR

Vibrations