Geometry & MOs

Info

ID:	365493
PubChem CID:	127317915
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	388.258674
ΔH_f, kcal/mol:	-53.06
Dipole, Da:	5.88
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NC3CC4=CC=CC=C4OC3

DOS

IR

Vibrations