Geometry & MOs

Info

ID:	36714
PubChem CID:	8011687
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-184.97
Dipole, Da:	3.55
IP(EA), eV:	-8.95(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations