Geometry & MOs

Info

ID:	137980
PubChem CID:	52294340
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	275.212338
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	2.8
IP(EA), eV:	-9.21(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[(1R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]-2-oxo-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations