Geometry & MOs

Info

ID:	365145
PubChem CID:	127316949
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	323.210996
ΔH_f, kcal/mol:	-57.23
Dipole, Da:	1.41
IP(EA), eV:	-9.38(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2(CCOCC2)CNC(=O)C3(CCCC3)C#N

DOS

IR

Vibrations