Geometry & MOs

Info

ID:	388019
PubChem CID:	134987875
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	154.135765
ΔH_f, kcal/mol:	-19.39
Dipole, Da:	3.55
IP(EA), eV:	-9.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yloxyhept-1-yne

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(=C(CN1C#N)C)C)C#N

DOS

IR

Vibrations