Geometry & MOs

Info

ID:	266516
PubChem CID:	103568267
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	256.096026
ΔH_f, kcal/mol:	-71.94
Dipole, Da:	3.97
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-amino-2-methylpyrimidin-4-yl)oxy-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC(C)OC1=C(N=CC=C1)OC2=CC(=CC(=C2)OC)CN

DOS

IR

Vibrations