Geometry & MOs

Info

ID:	422656
PubChem CID:	135118199
Reduced:	FNSO5C17H22 (1)
Stoich.:	ABCD5E17F22 (1)
Weight, g/mol:	307.225977
ΔH_f, kcal/mol:	-237.64
Dipole, Da:	8.58
IP(EA), eV:	-9.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)S(=O)(=O)N2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations