Geometry & MOs

Info

ID:	249910
PubChem CID:	103092813
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	306.97971
ΔH_f, kcal/mol:	29.96
Dipole, Da:	4.39
IP(EA), eV:	-9.0(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC=NN1CC

DOS

IR

Vibrations