Geometry & MOs

Info

ID:	340587
PubChem CID:	127262598
Reduced:	BrO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	353.161366
ΔH_f, kcal/mol:	-18.25
Dipole, Da:	7.33
IP(EA), eV:	-8.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC(=CC=C3)OC.[Br-]

DOS

IR

Vibrations