Geometry & MOs

Info

ID:	352008
PubChem CID:	127282926
Reduced:	SO2N3C14H25 (1)
Stoich.:	AB2C3D14E25 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-127.74
Dipole, Da:	1.85
IP(EA), eV:	-8.78(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]urea

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NC2CCC(CC2)NC(=O)C

DOS

IR

Vibrations