Geometry & MOs

Info

ID:	426094
PubChem CID:	135137252
Reduced:	NC10H21 (1)
Stoich.:	AB10C21 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	1.95
IP(EA), eV:	-8.52(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-5-[5-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)hexan-2-yl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C)C(=C)N(C)C(C)C

DOS

IR

Vibrations