Geometry & MOs

Info

ID:	330611
PubChem CID:	127248018
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-81.19
Dipole, Da:	5.59
IP(EA), eV:	-8.86(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-2-yl-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CS1)C(=O)N2CCC(C2)(CN(C)C)O

DOS

IR

Vibrations