Geometry & MOs

Info

ID:	124474
PubChem CID:	50884858
Reduced:	BrN2O5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	386.086249
ΔH_f, kcal/mol:	-179.28
Dipole, Da:	5.54
IP(EA), eV:	-8.78(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2Z)-2-[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridin-3-ylidene]hydrazinyl]benzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)NC2=O)Br)OCC(C)C

DOS

IR

Vibrations