Geometry & MOs

Info

ID:	139974
PubChem CID:	52625282
Reduced:	ON2C20H33 (1)
Stoich.:	AB2C20D33 (1)
Weight, g/mol:	316.251464
ΔH_f, kcal/mol:	-34.19
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.836127
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-ethyl-2-[methyl-[(1R)-1-(4-methylphenyl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=O)C[NH+](C)[C@H](C)C2=CC=C(C=C2)C

DOS

IR

Vibrations