Geometry & MOs

Info

ID:	242518
PubChem CID:	97301791
Reduced:	ClNO4H10C16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	339.022912
ΔH_f, kcal/mol:	-111.77
Dipole, Da:	8.18
IP(EA), eV:	-10.07(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-(2,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations