Geometry & MOs

Info

ID:	338554
PubChem CID:	127259565
Reduced:	N3C17H21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	204.053492
ΔH_f, kcal/mol:	65.8
Dipole, Da:	3.19
IP(EA), eV:	-8.67(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]oxyacetonitrile

Drug info:

PubChemData

Smile

CC1(CC2C(CNN2C3=CC=CC=C3)/C(=C/C#N)/C1)C

DOS

IR

Vibrations