Geometry & MOs

Info

ID:	250047
PubChem CID:	103093786
Reduced:	BrNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	4.01
IP(EA), eV:	-8.33(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC(=C(C(=C1)Br)OC)OCC)/C

DOS

IR

Vibrations