Geometry & MOs

Info

ID:	193004
PubChem CID:	78336925
Reduced:	BrN2O4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	367.091669
ΔH_f, kcal/mol:	-170.63
Dipole, Da:	4.13
IP(EA), eV:	-9.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC(N2)CCC(=O)OCCOC3=CC=C(C=C3)Br

DOS

IR

Vibrations