Geometry & MOs

Info

ID:	148449
PubChem CID:	53788111
Reduced:	ClN2O6C21H21 (1)
Stoich.:	AB2C6D21E21 (1)
Weight, g/mol:	395.105499
ΔH_f, kcal/mol:	-206.32
Dipole, Da:	6.82
IP(EA), eV:	-9.68(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(2,4-dichlorophenyl)prop-2-enoxyamino]propylidene]-5,5-dimethylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC(=O)C(C(=O)O)N)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations