Geometry & MOs

Info

ID:	169648
PubChem CID:	75131441
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	414.274324
ΔH_f, kcal/mol:	48.43
Dipole, Da:	7.31
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC1C2=NC(=NO2)C3=CN=CN=C3N

DOS

IR

Vibrations