Geometry & MOs

Info

ID:	171313
PubChem CID:	75357699
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	3.51
IP(EA), eV:	-8.65(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methoxyphenyl)-N-propylprop-2-en-1-amine;hydrochloride

Drug info:

PubChemData

Smile

CC(C)NC/C=C/C1=CC=CC=C1OC.Cl

DOS

IR

Vibrations