Geometry & MOs

Info

ID:	378598
PubChem CID:	134224690
Reduced:	F2N3O5C37H43 (1)
Stoich.:	A2B3C5D37E43 (1)
Weight, g/mol:	322.95739
ΔH_f, kcal/mol:	-249.11
Dipole, Da:	5.44
IP(EA), eV:	-8.55(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-8-chloro-3,4-dihydro-1H-isochromen-1-yl]-N-iodomethanamine

Drug info:

PubChemData

Smile

CNC[C@@H]1C2=C(CCO1)C=CC3=C2OC(C3)CNC[C@H]4C5=C(CCO4)C(=CC6=C5CCO6)CNC[C@H]7C8=CC=CC=C8C(CO7)(F)F

DOS

IR

Vibrations