Geometry & MOs

Info

ID:	36671
PubChem CID:	8010730
Reduced:	NO3H7C8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	339.090518
ΔH_f, kcal/mol:	-117.07
Dipole, Da:	3.67
IP(EA), eV:	-8.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=CO3)OC

DOS

IR

Vibrations