Geometry & MOs

Info

ID:	149527
PubChem CID:	53789200
Reduced:	PN2O9C15H21 (1)
Stoich.:	AB2C9D15E21 (1)
Weight, g/mol:	152.156501
ΔH_f, kcal/mol:	-276.12
Dipole, Da:	6.15
IP(EA), eV:	-11.05(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethylnon-4-yne

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(C=C(C=C1[N+](=O)[O-])C(=O)OCC(C)C)[N+](=O)[O-])OCC

DOS

IR

Vibrations