Geometry & MOs

Info

ID:	293530
PubChem CID:	117392416
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	2.64
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-2-ethyl-3,4-dimethoxyphenyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1C2(CCC2)N)Cl)OC)OC

DOS

IR

Vibrations