Geometry & MOs

Info

ID:	343172
PubChem CID:	127266345
Reduced:	OF3N6C14H15 (1)
Stoich.:	AB3C6D14E15 (1)
Weight, g/mol:	281.101171
ΔH_f, kcal/mol:	-96.03
Dipole, Da:	3.62
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dioxolan-4-ylmethyl)-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

C1CC1C(C(F)(F)F)NC(=O)NC2=CC=CC(=C2)CC3=NNN=N3

DOS

IR

Vibrations