Geometry & MOs

Info

ID:	249947
PubChem CID:	103093047
Reduced:	NCl2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	237.155121
ΔH_f, kcal/mol:	3.78
Dipole, Da:	4.79
IP(EA), eV:	-9.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-tert-butylthiophen-2-yl)-N,3-dimethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC(=C(C=C1)Cl)Cl)/C)NC

DOS

IR

Vibrations