Geometry & MOs

Info

ID:	137507
PubChem CID:	52217847
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-48.11
Dipole, Da:	6.18
IP(EA), eV:	-8.39(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-methyl-1-oxo-1-[2-(pyridine-3-carbonyl)hydrazinyl]butan-2-yl]urea

Drug info:

PubChemData

Smile

CCCN(CC1=CC=C(C=C1)C#N)C(=O)COC2=CC=CC=C2OCC

DOS

IR

Vibrations