Geometry & MOs

Info

ID:	372917
PubChem CID:	131307031
Reduced:	ClN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	209.121592
ΔH_f, kcal/mol:	22.48
Dipole, Da:	3.22
IP(EA), eV:	-9.41(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(7-fluoro-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=NC2=CC=CC=C2C=C1Cl)N

DOS

IR

Vibrations