Geometry & MOs

Info

ID:	197320
PubChem CID:	78952199
Reduced:	FNC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-57.56
Dipole, Da:	6.49
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(cyanomethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1(CCCC1)CNC2=C(C=C(C=C2F)C#N)F

DOS

IR

Vibrations