Geometry & MOs

Info

ID:	420669
PubChem CID:	135114638
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	29.8
Dipole, Da:	2.71
IP(EA), eV:	-8.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)CN(CCO)CC3=CN=C(N3)C)C

DOS

IR

Vibrations