Geometry & MOs

Info

ID:	52036
PubChem CID:	12014810
Reduced:	NSP2O4C9H21 (1)
Stoich.:	ABC2D4E9F21 (1)
Weight, g/mol:	150.06808
ΔH_f, kcal/mol:	-334.98
Dipole, Da:	5.4
IP(EA), eV:	-8.98(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-prop-2-ynylpent-4-ynoate

Drug info:

PubChemData

Smile

CCOP1(=S)CCCN1P(=O)(OCC)OCC

DOS

IR

Vibrations