Geometry & MOs

Info

ID:	218512
PubChem CID:	85089553
Reduced:	ClO7C25H27 (1)
Stoich.:	AB7C25D27 (1)
Weight, g/mol:	474.134635
ΔH_f, kcal/mol:	-244.96
Dipole, Da:	9.25
IP(EA), eV:	-8.94(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-3-(3-chlorophenoxy)benzamide

Drug info:

PubChemData

Smile

CCC(C)C=C(C)C=CC1=CC2=C(C(=O)C(C(=O)C2=CO1)(C)OC(=O)C=C(C)CC(=O)O)Cl

DOS

IR

Vibrations