Geometry & MOs

Info

ID:	249916
PubChem CID:	103092859
Reduced:	BrNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	209.123821
ΔH_f, kcal/mol:	21.19
Dipole, Da:	1.17
IP(EA), eV:	-8.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC=CC=C1Br

DOS

IR

Vibrations