Geometry & MOs

Info

ID:	196735
PubChem CID:	78871262
Reduced:	FSO2N5H18C20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	321.230394
ΔH_f, kcal/mol:	-3.54
Dipole, Da:	2.73
IP(EA), eV:	-8.85(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxyphenyl)-2-[(4-propylcyclohexyl)amino]ethanol

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C(=CC=C2)F)C#N)C(=O)NCC3=COC(=N3)C4=CC=CS4

DOS

IR

Vibrations