Geometry & MOs

Info

ID:	385994
PubChem CID:	134980487
Reduced:	NH17C19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	95.74
Dipole, Da:	3.16
IP(EA), eV:	-9.35(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(1Z)-buta-1,3-dienoxy]ethoxy]butane

Drug info:

PubChemData

Smile

C1[C@H]2C3C2(C4([C@H]1C4C3)C5=CC=NC=C5)C6=CC=CC=C6

DOS

IR

Vibrations