Geometry & MOs

Info

ID:	342453
PubChem CID:	127265608
Reduced:	O4N5C15H17 (1)
Stoich.:	A4B5C15D17 (1)
Weight, g/mol:	317.112404
ΔH_f, kcal/mol:	-30.12
Dipole, Da:	1.96
IP(EA), eV:	-9.4(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-methyl-3-nitrophenyl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=C(C=CC=N2)CNC(=O)C3=C(C=NN3)[N+](=O)[O-]

DOS

IR

Vibrations