Geometry & MOs

Info

ID:	143247
PubChem CID:	53172157
Reduced:	ON6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	52.05
Dipole, Da:	6.37
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethoxyphenyl)-3-(3-propan-2-ylbenzimidazol-5-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CN(C=N2)C3=NC=NC(=C3)NC4=CC=CC=C4

DOS

IR

Vibrations