Geometry & MOs

Info

ID:	272173
PubChem CID:	103730486
Reduced:	ClOF2N2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	4.83
IP(EA), eV:	-9.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1Cl)NC(=O)C2=C(C(=CC=C2)F)F

DOS

IR

Vibrations