Geometry & MOs

Info

ID:	169146
PubChem CID:	75067892
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-62.31
Dipole, Da:	5.55
IP(EA), eV:	-8.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(1,3-benzodioxol-5-yl)-1-(methoxyamino)-2-methylpropylidene]-3-hydroxy-4-propan-2-ylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(CC2=CN=C(C=C2)N3CCOCC3)NN)C(=O)C=C1O

DOS

IR

Vibrations