Geometry & MOs

Info

ID:	249871
PubChem CID:	103092589
Reduced:	BrNSC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	25.87
Dipole, Da:	3.0
IP(EA), eV:	-9.11(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=CS1)Br

DOS

IR

Vibrations