Geometry & MOs

Info

ID:	172359
PubChem CID:	75498270
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	317.196408
ΔH_f, kcal/mol:	-20.79
Dipole, Da:	2.96
IP(EA), eV:	-9.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]-5-propyl-1,3,4-oxadiazol-2-amine

Drug info:

PubChemData

Smile

CCCC1=NN=C(O1)NCC2=CC=C(C=C2)C(=O)NC

DOS

IR

Vibrations