Geometry & MOs

Info

ID:	263350
PubChem CID:	103358723
Reduced:	N3O3C9H19 (1)
Stoich.:	A3B3C9D19 (1)
Weight, g/mol:	294.083827
ΔH_f, kcal/mol:	-126.87
Dipole, Da:	3.72
IP(EA), eV:	-9.48(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-5-fluoro-1-benzothiophen-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCN(C1)C(COC)C(=O)NN)O

DOS

IR

Vibrations