Geometry & MOs

Info

ID:	202616
PubChem CID:	79699497
Reduced:	FNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	270.117984
ΔH_f, kcal/mol:	-129.82
Dipole, Da:	3.71
IP(EA), eV:	-9.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-N-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-amine

Drug info:

PubChemData

Smile

CC1C(C(=O)N(C1=O)CC2=CC(=CC(=C2)F)C#CCO)C

DOS

IR

Vibrations