Geometry & MOs

Info

ID:	347089
PubChem CID:	127271593
Reduced:	N3O3F4C16H19 (1)
Stoich.:	A3B3C4D16E19 (1)
Weight, g/mol:	358.132885
ΔH_f, kcal/mol:	-309.58
Dipole, Da:	5.77
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

C1CN(CCN1CC(F)(F)F)C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations