Geometry & MOs

Info

ID:	193126
PubChem CID:	78348114
Reduced:	BrN2O5C25H25 (1)
Stoich.:	AB2C5D25E25 (1)
Weight, g/mol:	301.081104
ΔH_f, kcal/mol:	-130.94
Dipole, Da:	2.62
IP(EA), eV:	-8.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C3=C(O2)C(=O)N(C3C4=CC(=C(C(=C4)Br)O)OC)C5=NC=CC(=C5)C

DOS

IR

Vibrations