Geometry & MOs

Info

ID:	304151
PubChem CID:	124497339
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	374.268176
ΔH_f, kcal/mol:	-121.98
Dipole, Da:	2.73
IP(EA), eV:	-9.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(2S)-1-propylpyrrolidin-2-yl]pyridin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=N2)[C@H]3CCCN3C=O

DOS

IR

Vibrations