Geometry & MOs

Info

ID:	236496
PubChem CID:	92713495
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	286.111756
ΔH_f, kcal/mol:	-124.78
Dipole, Da:	5.04
IP(EA), eV:	-8.91(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-fluorophenyl)urea

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)N[C@H]2CC3=CC=CC=C3OC2)OC

DOS

IR

Vibrations