Geometry & MOs

Info

ID:	205895
PubChem CID:	80173791
Reduced:	INOF2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-78.66
Dipole, Da:	2.05
IP(EA), eV:	-9.19(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1-benzofuran-2-yl)-(3,3-dimethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)NC(=O)CC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations