Geometry & MOs

Info

ID:	406127
PubChem CID:	135076602
Reduced:	ClN3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	403.04331
ΔH_f, kcal/mol:	57.34
Dipole, Da:	3.38
IP(EA), eV:	-8.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethyl-1-methylidene-3,4-dihydroisoquinolin-2-yl)-(2-iodophenyl)methanone

Drug info:

PubChemData

Smile

CC(=CCCC=CCNC1=NC2=CC=CC=C2N=C1Cl)C

DOS

IR

Vibrations