Geometry & MOs

Info

ID:	304153
PubChem CID:	124497376
Reduced:	ON2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	274.215747
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	2.3
IP(EA), eV:	-8.52(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(2R)-1-ethylpyrrolidin-2-yl]pyridin-2-yl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC=N2)[C@@H]3CCCCN3CC4=CC=CC=C4

DOS

IR

Vibrations