Geometry & MOs

Info

ID:	212477
PubChem CID:	81060630
Reduced:	SN3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	270.184447
ΔH_f, kcal/mol:	56.43
Dipole, Da:	4.68
IP(EA), eV:	-9.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(C1=CC=CS1)NC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations