Geometry & MOs

Info

ID:	445883
PubChem CID:	135269868
Reduced:	O3N4C28H38 (1)
Stoich.:	A3B4C28D38 (1)
Weight, g/mol:	453.141259
ΔH_f, kcal/mol:	-38.19
Dipole, Da:	4.25
IP(EA), eV:	-8.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[5-methyl-6-[5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC(N1CC2=CC=CC(=C2)CN3CCOCC3)C)CC4=CC=C(C=C4)/C=C/C(=O)NO

DOS

IR

Vibrations