Geometry & MOs

Info

ID:	272515
PubChem CID:	103744306
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	241.09636
ΔH_f, kcal/mol:	14.02
Dipole, Da:	5.92
IP(EA), eV:	-9.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CN=C(C=C1)NCCC2=NC=NO2

DOS

IR

Vibrations