Geometry & MOs

Info

ID:	139968
PubChem CID:	52622769
Reduced:	SN2O3C23H36 (1)
Stoich.:	AB2C3D23E36 (1)
Weight, g/mol:	310.210622
ΔH_f, kcal/mol:	-176.45
Dipole, Da:	4.0
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]carbamoylamino]ethyl]azanium

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCC(CC3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations