Geometry & MOs

Info

ID:	63950
PubChem CID:	26759546
Reduced:	NO2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-135.67
Dipole, Da:	8.1
IP(EA), eV:	-8.96(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations