Geometry & MOs

Info

ID:	149951
PubChem CID:	53789633
Reduced:	BrN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	332.137222
ΔH_f, kcal/mol:	-25.39
Dipole, Da:	2.57
IP(EA), eV:	-9.6(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-3-methyl-1H-pyrazol-2-yl]acetate

Drug info:

PubChemData

Smile

CCNN1C(=O)C2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations