Geometry & MOs

Info

ID:	430394
PubChem CID:	135170458
Reduced:	F3N3H6C7 (1)
Stoich.:	A3B3C6D7 (1)
Weight, g/mol:	195.089543
ΔH_f, kcal/mol:	-90.01
Dipole, Da:	3.22
IP(EA), eV:	-10.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4-dimethyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C#N)CC(F)(F)F

DOS

IR

Vibrations