Geometry & MOs

Info

ID:	24759
PubChem CID:	613124
Reduced:	NO6C21H25 (1)
Stoich.:	AB6C21D25 (1)
Weight, g/mol:	387.168188
ΔH_f, kcal/mol:	-155.56
Dipole, Da:	4.45
IP(EA), eV:	-8.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(3,4,5-trimethoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CC(C#N)C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations