Geometry & MOs

Info

ID:	295019
PubChem CID:	117511893
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	331.125358
ΔH_f, kcal/mol:	-98.6
Dipole, Da:	4.02
IP(EA), eV:	-8.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoro-2,3-dimethoxy-4-methylsulfonylphenyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=C(C=C(C=C2)C3=NNC(=C3)C(=O)O)OC

DOS

IR

Vibrations