Geometry & MOs

Info

ID:	44309
PubChem CID:	10502649
Reduced:	NO2H12C13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	-93.74
Dipole, Da:	2.0
IP(EA), eV:	-8.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(2-phenylmethoxyethoxy)benzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](NC3=CC=CC=C23)N([C@H]1C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations