Geometry & MOs

Info

ID:	419048
PubChem CID:	135107386
Reduced:	NO6C20H27 (1)
Stoich.:	AB6C20D27 (1)
Weight, g/mol:	323.189672
ΔH_f, kcal/mol:	-245.09
Dipole, Da:	4.3
IP(EA), eV:	-8.46(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2(CCCC2)C(=O)N3CC[C@H]([C@H](C3)C(=O)O)O)OC

DOS

IR

Vibrations