Geometry & MOs

Info

ID:	159201
PubChem CID:	57264370
Reduced:	NO14C45H71 (1)
Stoich.:	AB14C45D71 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-660.24
Dipole, Da:	0.38
IP(EA), eV:	-9.59(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-prop-2-ynoxyoctanoic acid

Drug info:

PubChemData

Smile

CCC1C=C(C(C(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)OC(=O)C)C

DOS

IR

Vibrations