Geometry & MOs

Info

ID:	218160
PubChem CID:	85088972
Reduced:	BrO3C22H43 (1)
Stoich.:	AB3C22D43 (1)
Weight, g/mol:	435.169525
ΔH_f, kcal/mol:	-222.12
Dipole, Da:	1.34
IP(EA), eV:	-10.05(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(benzylideneamino)-1-(2-methoxyphenyl)imidazol-4-yl]-2-phenyl-1,3-oxazol-5-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(C1OCC(O1)CO)Br

DOS

IR

Vibrations