Geometry & MOs

Info

ID:	34082
PubChem CID:	7889749
Reduced:	ClN3O4H16C21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	318.07712
ΔH_f, kcal/mol:	-41.09
Dipole, Da:	3.82
IP(EA), eV:	-9.27(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](N(N=C1C2=CC=C(C=C2)Cl)C(=O)COC(=O)C3=CC=NC=C3)C4=CC=CO4

DOS

IR

Vibrations