Geometry & MOs

Info

ID:	149854
PubChem CID:	53789533
Reduced:	ClN2F3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	197.068808
ΔH_f, kcal/mol:	-103.25
Dipole, Da:	4.08
IP(EA), eV:	-10.77(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methoxycarbonyl 2-(4-methyl-1H-pyrrol-2-yl)acetate

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NC(=N2)Cl)C(F)(F)F

DOS

IR

Vibrations