Geometry & MOs

Info

ID:	148695
PubChem CID:	53788364
Reduced:	N2O2H6C11 (1)
Stoich.:	A2B2C6D11 (1)
Weight, g/mol:	345.111341
ΔH_f, kcal/mol:	54.32
Dipole, Da:	4.22
IP(EA), eV:	-9.19(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-4-(4-imidazol-1-ylphenyl)-4-oxobutanenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=C2N=O)O)C#N

DOS

IR

Vibrations