Geometry & MOs

Info

ID:	344108
PubChem CID:	127267284
Reduced:	N3O5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	257.11757
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	6.77
IP(EA), eV:	-9.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dimethoxypropan-2-yl)-3-(5-fluoropyridin-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC(C)C(OC)OC

DOS

IR

Vibrations