Geometry & MOs

Info

ID:	365883
PubChem CID:	127319134
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	375.15699
ΔH_f, kcal/mol:	30.96
Dipole, Da:	8.77
IP(EA), eV:	-8.59(-0.65)
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-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]urea

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)NC3=CC(=NC=C3)SC4=CC=CC=N4

DOS

IR

Vibrations