Geometry & MOs

Info

ID:	294001
PubChem CID:	117421579
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	6.67
IP(EA), eV:	-9.47(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)cyclopentyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1F)C2(CCCC2)CN)C(=O)O

DOS

IR

Vibrations