Geometry & MOs

Info

ID:	413342
PubChem CID:	135086290
Reduced:	NO7H57C64 (1)
Stoich.:	AB7C57D64 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-43.27
Dipole, Da:	6.02
IP(EA), eV:	-9.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-hydroxy-8-methylnon-2-ynoate

Drug info:

PubChemData

Smile

C=CCCCOC1C(C(C(C(O1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)OCC8=CC=CC=C8)N9C(=O)C1=CC=CC=C1C9=O

DOS

IR

Vibrations