Geometry & MOs

Info

ID:	340585
PubChem CID:	127262596
Reduced:	BrO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	337.166451
ΔH_f, kcal/mol:	83.74
Dipole, Da:	34.08
IP(EA), eV:	-5.7(-3.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-[1-(4-methylphenyl)propan-2-yl]oxadiazol-3-ium-5-yl]-3-phenylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations