Geometry & MOs

Info

ID:	266441
PubChem CID:	103566339
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	279.100777
ΔH_f, kcal/mol:	11.87
Dipole, Da:	5.32
IP(EA), eV:	-8.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-amino-3-(cyanomethyl)phenoxy]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=C1N)OC2=CC(=CC(=C2)OC)C#N)C

DOS

IR

Vibrations