Geometry & MOs

Info

ID:	220440
PubChem CID:	85195362
Reduced:	O5C10H14 (1)
Stoich.:	A5B10C14 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-172.1
Dipole, Da:	2.66
IP(EA), eV:	-10.29(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-phenylhex-3-en-5-ynoate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C(C1OC(=O)C)O2

DOS

IR

Vibrations