Geometry & MOs

Info

ID:	241291
PubChem CID:	96022455
Reduced:	FCl2N2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	285.032334
ΔH_f, kcal/mol:	-9.12
Dipole, Da:	4.01
IP(EA), eV:	-9.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-1-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2Cl)Cl)C3=CN=C(C=C3)F

DOS

IR

Vibrations