Geometry & MOs

Info

ID:	170665
PubChem CID:	75265863
Reduced:	SO2N6C22H24 (1)
Stoich.:	AB2C6D22E24 (1)
Weight, g/mol:	300.127406
ΔH_f, kcal/mol:	20.21
Dipole, Da:	9.64
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C(=NN12)CCCNC(=O)C3CCCN3C(=O)C4=CC=CS4)C#N)C

DOS

IR

Vibrations