Geometry & MOs

Info

ID:	249746
PubChem CID:	103091811
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	225.092042
ΔH_f, kcal/mol:	-64.51
Dipole, Da:	4.4
IP(EA), eV:	-8.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(2-chloro-6-methoxyphenyl)-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)/C)N

DOS

IR

Vibrations