Geometry & MOs

Info

ID:	342061
PubChem CID:	127264774
Reduced:	N4H12C15 (1)
Stoich.:	A4B12C15 (1)
Weight, g/mol:	294.111676
ΔH_f, kcal/mol:	129.15
Dipole, Da:	1.57
IP(EA), eV:	-9.0(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[[4-(2-pyrimidin-4-ylethenyl)phenoxy]methyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CN(N=C1)C2=CC=C(C=C2)C=CC3=NC=NC=C3

DOS

IR

Vibrations