Geometry & MOs

Info

ID:	171750
PubChem CID:	75423292
Reduced:	O3N6C17H26 (1)
Stoich.:	A3B6C17D26 (1)
Weight, g/mol:	258.081599
ΔH_f, kcal/mol:	-37.39
Dipole, Da:	8.48
IP(EA), eV:	-8.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-(2,2-difluoroethyl)urea

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C(C)O/N=C(/C2=C(C3(CCCC3)N(C2=O)C)N)\N

DOS

IR

Vibrations