Geometry & MOs

Info

ID:	202999
PubChem CID:	79760030
Reduced:	ON2F3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	179.094629
ΔH_f, kcal/mol:	-139.87
Dipole, Da:	2.28
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyloxolan-3-yl)-(1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1F)NC(=O)C2=C(C=CC(=C2F)N)F

DOS

IR

Vibrations