Geometry & MOs

Info

ID:	266449
PubChem CID:	103566753
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	202.074228
ΔH_f, kcal/mol:	27.68
Dipole, Da:	7.24
IP(EA), eV:	-9.52(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyanoethoxy)-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=CC(=CC(=C2)OC)C#N

DOS

IR

Vibrations