Geometry & MOs

Info

ID:	306020
PubChem CID:	125000537
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	61.09
Dipole, Da:	1.78
IP(EA), eV:	-8.68(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[2-(methylamino)pyridin-4-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@@H](CCNC1)CC2=CN=C(C=N2)C3=CN=C(C=C3)N

DOS

IR

Vibrations