Geometry & MOs

Info

ID:	241287
PubChem CID:	96022431
Reduced:	Cl2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	282.032668
ΔH_f, kcal/mol:	35.06
Dipole, Da:	4.26
IP(EA), eV:	-9.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CN1C=NC=C1[C@H]2C3=C(CCN2)C=C(C=C3Cl)Cl

DOS

IR

Vibrations