Geometry & MOs

Info

ID:	413283
PubChem CID:	135086231
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	338.188195
ΔH_f, kcal/mol:	-122.34
Dipole, Da:	3.6
IP(EA), eV:	-9.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-(phenylmethoxymethyl)cyclohexa-2,5-dien-1-yl]but-2-ynoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C#CCC1(C=CCC=C1)COCOC

DOS

IR

Vibrations