Geometry & MOs

Info

ID:	305359
PubChem CID:	124772138
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	321.174022
ΔH_f, kcal/mol:	-190.52
Dipole, Da:	4.97
IP(EA), eV:	-8.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC(=O)C2=CC=CC=C2NCCO

DOS

IR

Vibrations