Geometry & MOs

Info

ID:	256028
PubChem CID:	103136503
Reduced:	ClFO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	-97.08
Dipole, Da:	2.16
IP(EA), eV:	-9.08(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-3-yl(isoquinolin-8-yl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC(=C2)C#CCCCl)F

DOS

IR

Vibrations