Geometry & MOs

Info

ID:	249901
PubChem CID:	103092758
Reduced:	ClSN3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	179.131014
ΔH_f, kcal/mol:	55.1
Dipole, Da:	4.78
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=C(N=C2N1C=CS2)Cl

DOS

IR

Vibrations