Geometry & MOs

Info

ID:	390267
PubChem CID:	134998144
Reduced:	ON2H7C10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	256.096026
ΔH_f, kcal/mol:	66.9
Dipole, Da:	2.89
IP(EA), eV:	-9.18(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(C=C1)C2=NC=C(N=N2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations