Geometry & MOs

Info

ID:	330595
PubChem CID:	127248002
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	-80.49
Dipole, Da:	5.04
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)CC1(CCN(C1)C(=O)C2=CSC3=C2CCCC3)O

DOS

IR

Vibrations