Geometry & MOs

Info

ID:	137981
PubChem CID:	52294341
Reduced:	ON2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	3.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.963242
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(dimethylamino)-N-[(1S,3S)-3-methylcyclohexyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H](C1)NC(=O)[C@@H](C2=CC=CC=C2)[NH+](C)C

DOS

IR

Vibrations