Geometry & MOs

Info

ID:	356772
PubChem CID:	127292312
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	323.268511
ΔH_f, kcal/mol:	17.77
Dipole, Da:	6.15
IP(EA), eV:	-8.95(-0.74)
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-(4-methylpiperazin-1-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C2=NN=C(S2)NC(=O)NC3CCN4C3CCCC4

DOS

IR

Vibrations