Geometry & MOs

Info

ID:	292637
PubChem CID:	117356104
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-92.14
Dipole, Da:	7.01
IP(EA), eV:	-9.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chloro-3,6-dimethoxy-4-methylphenyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)Cl)CN=C=O)OC

DOS

IR

Vibrations