Geometry & MOs

Info

ID:	36712
PubChem CID:	8011683
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-186.67
Dipole, Da:	5.2
IP(EA), eV:	-9.02(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

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