Geometry & MOs

Info

ID:	42475
PubChem CID:	8149598
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	341.064785
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	6.27
IP(EA), eV:	-9.07(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(6-nitro-1,3-benzodioxol-5-yl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1[C@H](C2=NN=C(O2)C3=CC=CC=C3)O

DOS

IR

Vibrations