Geometry & MOs

Info

ID:	241231
PubChem CID:	96022156
Reduced:	NF2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	253.091435
ΔH_f, kcal/mol:	-144.77
Dipole, Da:	5.98
IP(EA), eV:	-9.9(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)C3(CC3)C(=O)O

DOS

IR

Vibrations