Geometry & MOs

Info

ID:	63699
PubChem CID:	26759000
Reduced:	N2O5C20H26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	374.184172
ΔH_f, kcal/mol:	-162.79
Dipole, Da:	2.99
IP(EA), eV:	-8.74(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations