Geometry & MOs

Info

ID:	445912
PubChem CID:	135269918
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	400.164774
ΔH_f, kcal/mol:	-16.58
Dipole, Da:	4.42
IP(EA), eV:	-8.86(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)CC3=CC=CC=C3C4=COC=C4

DOS

IR

Vibrations