Geometry & MOs

Info

ID:	6068
PubChem CID:	14400
Reduced:	ClO2N4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	334.119654
ΔH_f, kcal/mol:	27.45
Dipole, Da:	22.27
IP(EA), eV:	-6.98(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl-[3-[2-(pyridine-4-carbonyl)hydrazinyl]propanoyl]azanium;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[NH2+]C(=O)CCNNC(=O)C2=CC=NC=C2.[Cl-]

DOS

IR

Vibrations