Geometry & MOs

Info

ID:	210877
PubChem CID:	80867197
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	287.101839
ΔH_f, kcal/mol:	-63.53
Dipole, Da:	3.32
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzonitrile

Drug info:

PubChemData

Smile

CCNC1=CC(=NC=N1)OC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations