Geometry & MOs

Info

ID:	304287
PubChem CID:	124501515
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	3.19
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-[(1S)-1-aminoethyl]-3-methylpyridin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2CCN(CC2)C(=O)OC(C)(C)C)[C@@H](C3=CC=CC=C3)O

DOS

IR

Vibrations