Geometry & MOs

Info

ID:	294777
PubChem CID:	117490634
Reduced:	N3O4C15H19 (1)
Stoich.:	A3B4C15D19 (1)
Weight, g/mol:	305.089721
ΔH_f, kcal/mol:	-107.21
Dipole, Da:	5.47
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluoro-2-methoxy-4-methylsulfonylphenyl)cyclopentan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C2=CC(=NO2)N)OC

DOS

IR

Vibrations