Geometry & MOs

Info

ID:	276153
PubChem CID:	103820995
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	325.143784
ΔH_f, kcal/mol:	-132.04
Dipole, Da:	1.73
IP(EA), eV:	-8.35(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2-fluoro-6-nitroanilino)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=C1)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations