Geometry & MOs

Info

ID:	241289
PubChem CID:	96022442
Reduced:	Cl2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	281.048653
ΔH_f, kcal/mol:	37.84
Dipole, Da:	4.75
IP(EA), eV:	-9.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2Cl)Cl)CN3C=CN=C3

DOS

IR

Vibrations