Geometry & MOs

Info

ID:	389752
PubChem CID:	134995009
Reduced:	NPO2H30C31 (1)
Stoich.:	ABC2D30E31 (1)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-18.39
Dipole, Da:	4.76
IP(EA), eV:	-9.21(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-dimethyldec-9-ynoate

Drug info:

PubChemData

Smile

C[C@H]1[C@H](O[P@@](=O)(N1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC=C)C5=CC=CC=C5

DOS

IR

Vibrations