Geometry & MOs

Info

ID:	159254
PubChem CID:	57269336
Reduced:	FN2O6C15H19 (1)
Stoich.:	AB2C6D15E19 (1)
Weight, g/mol:	190.172151
ΔH_f, kcal/mol:	-214.15
Dipole, Da:	7.56
IP(EA), eV:	-9.45(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropyl)deca-2,5-diyne

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC1=C(C=C(C(=C1)N(C)C)C(=O)O)[N+](=O)[O-])F

DOS

IR

Vibrations