Geometry & MOs

Info

ID:	421071
PubChem CID:	135115318
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	295.158372
ΔH_f, kcal/mol:	-124.28
Dipole, Da:	3.01
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H](C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4)O

DOS

IR

Vibrations