Geometry & MOs

Info

ID:	89042
PubChem CID:	49958878
Reduced:	IN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	398.163043
ΔH_f, kcal/mol:	-4.18
Dipole, Da:	2.97
IP(EA), eV:	-9.1(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzhydryl-5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)C2=CC(=C(C=C2)OC)I

DOS

IR

Vibrations