Geometry & MOs

Info

ID:	274091
PubChem CID:	103806975
Reduced:	ClION2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	411.98394
ΔH_f, kcal/mol:	-9.07
Dipole, Da:	3.76
IP(EA), eV:	-9.37(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

Drug info:

PubChemData

Smile

CC1CN(CCN1)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations