Geometry & MOs

Info

ID:	398594
PubChem CID:	135034158
Reduced:	OS2C26H26 (1)
Stoich.:	AB2C26D26 (1)
Weight, g/mol:	401.050483
ΔH_f, kcal/mol:	43.92
Dipole, Da:	3.03
IP(EA), eV:	-8.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1-(3,4,5-trichlorophenyl)-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CCSC(=C(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)SCC

DOS

IR

Vibrations