Geometry & MOs

Info

ID:	241292
PubChem CID:	96022481
Reduced:	NCl2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	297.105105
ΔH_f, kcal/mol:	-70.68
Dipole, Da:	2.38
IP(EA), eV:	-9.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,8-dichloro-1-(2,2,3,3-tetramethylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2Cl)Cl)C3(CC3)C(=O)O

DOS

IR

Vibrations