Geometry & MOs

Info

ID:	266156
PubChem CID:	103558581
Reduced:	ClN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	336.04734
ΔH_f, kcal/mol:	-12.65
Dipole, Da:	2.93
IP(EA), eV:	-9.42(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-3-amine

Drug info:

PubChemData

Smile

COC1(CCC1)CC2=C(C(=NO2)N)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations