Geometry & MOs

Info

ID:	358389
PubChem CID:	127295934
Reduced:	OSF3N5C13H18 (1)
Stoich.:	ABC3D5E13F18 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-162.74
Dipole, Da:	12.77
IP(EA), eV:	-9.49(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-acetyl-2,3-dihydroindol-5-yl)-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NC3=NN=C(S3)C(F)(F)F

DOS

IR

Vibrations