Geometry & MOs

Info

ID:	271270
PubChem CID:	103652542
Reduced:	OC7N7H11 (1)
Stoich.:	AB7C7D11 (1)
Weight, g/mol:	319.169605
ΔH_f, kcal/mol:	97.02
Dipole, Da:	5.97
IP(EA), eV:	-9.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2-cyano-3-fluoroanilino)methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNC2=NN=NN2C

DOS

IR

Vibrations