Geometry & MOs

Info

ID:	80895
PubChem CID:	49846842
Reduced:	N2F3O3H15C17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	294.194343
ΔH_f, kcal/mol:	-180.59
Dipole, Da:	7.86
IP(EA), eV:	-9.27(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dihydroxyphenyl)methyl]-3-octylurea

Drug info:

PubChemData

Smile

C1=CN(C(=O)C(=C1)/C=C/C(=O)NO)CCCC2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations