Geometry & MOs

Info

ID:	295115
PubChem CID:	117517798
Reduced:	BrN2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	350.0266
ΔH_f, kcal/mol:	-68.99
Dipole, Da:	8.15
IP(EA), eV:	-9.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-(4-bromo-1-methyl-3-oxo-5,6,7,8-tetrahydronaphthalen-2-ylidene)-1,2-dihydropyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=CC(=C3C(=C2Br)C=CO3)OC

DOS

IR

Vibrations