Geometry & MOs

Info

ID:	241286
PubChem CID:	96022413
Reduced:	ClNC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	281.048653
ΔH_f, kcal/mol:	-5.65
Dipole, Da:	3.5
IP(EA), eV:	-8.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)[C@H]2C3=C(CCN2)C=C(C=C3Cl)Cl

DOS

IR

Vibrations