Geometry & MOs

Info

ID:	240939
PubChem CID:	93618317
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	3.68
IP(EA), eV:	-9.43(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC(=CC=C1)Cl)NC(=O)COC

DOS

IR

Vibrations