Geometry & MOs

Info

ID:	294008
PubChem CID:	117422032
Reduced:	FNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	267.163457
ΔH_f, kcal/mol:	-117.47
Dipole, Da:	2.82
IP(EA), eV:	-8.83(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxin-7-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)OC)F)C2(CCCC2)CN

DOS

IR

Vibrations