Geometry & MOs

Info

ID:	347331
PubChem CID:	127272180
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	353.191483
ΔH_f, kcal/mol:	-100.03
Dipole, Da:	3.6
IP(EA), eV:	-8.38(-0.57)
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-[3-(2,2-difluoroethoxy)-4-methylphenyl]urea

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2S1)NC(=O)N3CCC(CC3)OC4CCCC4)OC

DOS

IR

Vibrations