Geometry & MOs

Info

ID:	249886
PubChem CID:	103092679
Reduced:	SN2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	268.097855
ΔH_f, kcal/mol:	22.8
Dipole, Da:	1.17
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-chloro-3-nitrophenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CSC(=N1)C

DOS

IR

Vibrations