Geometry & MOs

Info

ID:	276164
PubChem CID:	103821027
Reduced:	NOC9H17 (2)
Stoich.:	ABC9D17 (2)
Weight, g/mol:	385.06372
ΔH_f, kcal/mol:	-147.0
Dipole, Da:	3.06
IP(EA), eV:	-9.04(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(2-bromo-5-nitroanilino)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1CCCCCC1)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations