Geometry & MOs

Info

ID:	304150
PubChem CID:	124497259
Reduced:	N4C17H28 (1)
Stoich.:	A4B17C28 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	21.94
Dipole, Da:	2.49
IP(EA), eV:	-8.0(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(2R)-1-formylpyrrolidin-2-yl]pyridin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1CCCC[C@H]1C2=C(N=CC=C2)N3CCNCC3

DOS

IR

Vibrations