Geometry & MOs

Info

ID:	423353
PubChem CID:	135119350
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	281.142722
ΔH_f, kcal/mol:	18.84
Dipole, Da:	2.77
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC=CC5=C4NC=C5

DOS

IR

Vibrations