Geometry & MOs

Info

ID:	292638
PubChem CID:	117356203
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-56.56
Dipole, Da:	2.84
IP(EA), eV:	-8.59(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-2,3-dimethoxy-4-methylphenyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations