Geometry & MOs

Info

ID:	414319
PubChem CID:	135087275
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	337.168936
ΔH_f, kcal/mol:	6.97
Dipole, Da:	5.71
IP(EA), eV:	-9.28(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexyl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1N2C=CC=N2)CC(=O)NC3CCCCC3

DOS

IR

Vibrations