Geometry & MOs

Info

ID:	241225
PubChem CID:	96022125
Reduced:	FNOC6H7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	260.99647
ΔH_f, kcal/mol:	-157.82
Dipole, Da:	5.98
IP(EA), eV:	-9.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(bromomethyl)-6,8-difluoro-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)CNCC(=O)O

DOS

IR

Vibrations