Geometry & MOs

Info

ID:	249890
PubChem CID:	103092687
Reduced:	NCl2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	3.31
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-nitrothiophen-3-yl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations