Geometry & MOs

Info

ID:	206031
PubChem CID:	80192153
Reduced:	ON2S2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	265.111422
ΔH_f, kcal/mol:	14.63
Dipole, Da:	2.09
IP(EA), eV:	-8.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC(=O)C2=CSC=N2

DOS

IR

Vibrations