Geometry & MOs

Info

ID:	123547
PubChem CID:	50853319
Reduced:	ClNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	420.200885
ΔH_f, kcal/mol:	-144.39
Dipole, Da:	5.42
IP(EA), eV:	-9.98(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethylazanium;2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoate;hydrate

Drug info:

PubChemData

Smile

CC1CCCC(N1)C(=O)O.Cl

DOS

IR

Vibrations