Geometry & MOs

Info

ID:	175771
PubChem CID:	75944920
Reduced:	N2O2C20H27 (1)
Stoich.:	A2B2C20D27 (1)
Weight, g/mol:	300.127406
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125229
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-5-methylphenyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNCC2=CC=CC=C2O)[NH+]3CCCC3

DOS

IR

Vibrations