Geometry & MOs

Info

ID:	303127
PubChem CID:	124489245
Reduced:	OCl2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	4.38
IP(EA), eV:	-9.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-3-yl-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC[C@@H]1CCN(C1)C(=O)CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations