Geometry & MOs

Info

ID:	276138
PubChem CID:	103820857
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	-113.62
Dipole, Da:	3.37
IP(EA), eV:	-9.04(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-chloro-3-cyanoanilino)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations