Geometry & MOs

Info

ID:	398732
PubChem CID:	135035136
Reduced:	N3H7C11 (1)
Stoich.:	A3B7C11 (1)
Weight, g/mol:	450.131468
ΔH_f, kcal/mol:	111.01
Dipole, Da:	4.57
IP(EA), eV:	-9.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-6-[4-methoxy-6-(phenylmethoxymethyl)-1,3-benzodioxol-5-yl]-1,3-benzodioxole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2CC#N)C#N

DOS

IR

Vibrations