Geometry & MOs

Info

ID:	28452
PubChem CID:	827705
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	349.121512
ΔH_f, kcal/mol:	-72.89
Dipole, Da:	5.65
IP(EA), eV:	-8.77(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-diphenylpyrimidin-4-yl)oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=C(C)C2=CC=C(O2)C

DOS

IR

Vibrations