Geometry & MOs

Info

ID:	292639
PubChem CID:	117356207
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	4.07
IP(EA), eV:	-8.65(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-methoxy-3,5-dimethylphenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations