Geometry & MOs

Info

ID:	388121
PubChem CID:	134988233
Reduced:	O2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	210.16198
ΔH_f, kcal/mol:	-133.44
Dipole, Da:	4.55
IP(EA), eV:	-10.46(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,2-diethylhept-3-ynoate

Drug info:

PubChemData

Smile

CC1(CCCCCCCCCC1)C(=O)O

DOS

IR

Vibrations