Geometry & MOs

Info

ID:	356771
PubChem CID:	127292311
Reduced:	ON7C18H25 (1)
Stoich.:	AB7C18D25 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	12.19
Dipole, Da:	2.03
IP(EA), eV:	-8.77(-0.13)
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-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NC3CCCN(C3)C4=NC=CC=N4

DOS

IR

Vibrations