Geometry & MOs

Info

ID:	445941
PubChem CID:	135269982
Reduced:	O3N7C30H37 (1)
Stoich.:	A3B7C30D37 (1)
Weight, g/mol:	388.164774
ΔH_f, kcal/mol:	-27.09
Dipole, Da:	4.29
IP(EA), eV:	-8.49(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-amino-6-(3-methyl-5-phenyl-2H-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCN(CCNC(=O)/C(=C/C=C(\C)/C1=CN=C(C(=N1)C2=NC3=C(N2)C=C(C=C3)C)N)/C#C)C(=O)OC(C)(C)C

DOS

IR

Vibrations