Geometry & MOs

Info

ID:	241294
PubChem CID:	96022499
Reduced:	NCl2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	294.032668
ΔH_f, kcal/mol:	35.04
Dipole, Da:	3.55
IP(EA), eV:	-9.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC#C[C@H]1C2=C(CCN1)C=C(C=C2Cl)Cl

DOS

IR

Vibrations