Geometry & MOs

Info

ID:	37496
PubChem CID:	8021581
Reduced:	Cl2N3O4C14H15 (1)
Stoich.:	A2B3C4D14E15 (1)
Weight, g/mol:	344.069448
ΔH_f, kcal/mol:	-144.1
Dipole, Da:	6.41
IP(EA), eV:	-9.52(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations