Geometry & MOs

Info

ID:	417658
PubChem CID:	135102398
Reduced:	FNSO5C15H20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-257.23
Dipole, Da:	3.16
IP(EA), eV:	-10.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)O

DOS

IR

Vibrations