Geometry & MOs

Info

ID:	211364
PubChem CID:	80938682
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-39.36
Dipole, Da:	2.44
IP(EA), eV:	-8.6(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-ethyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)OC2=CC=CC3=C2OC(C3)(C)C)N

DOS

IR

Vibrations