Geometry & MOs

Info

ID:	144160
PubChem CID:	53324228
Reduced:	O3C22H34 (1)
Stoich.:	A3B22C34 (1)
Weight, g/mol:	385.167794
ΔH_f, kcal/mol:	-168.29
Dipole, Da:	2.8
IP(EA), eV:	-8.85(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethyl-4-phenylmethoxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@H]1CCCC([C@H]1CCC(=C)C(CC2=C(C=C(C=C2O)C)O)O)(C)C

DOS

IR

Vibrations