Geometry & MOs

Info

ID:	340420
PubChem CID:	127262431
Reduced:	NH17C20 (2)
Stoich.:	AB17C20 (2)
Weight, g/mol:	335.120755
ΔH_f, kcal/mol:	158.56
Dipole, Da:	1.85
IP(EA), eV:	-8.26(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-benzyl-N-(2-chloroethyl)-3-(2-methylphenyl)prop-2-en-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)CNC4=CC=CC=C4)/C5=CC=C(C=C5)CNC6=CC=CC=C6

DOS

IR

Vibrations