Geometry & MOs

Info

ID:	52395
PubChem CID:	12015246
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	532.282489
ΔH_f, kcal/mol:	-72.95
Dipole, Da:	0.88
IP(EA), eV:	-10.19(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[4-(2-hept-5-ynoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl hept-5-ynoate

Drug info:

PubChemData

Smile

CC#CCCOC(=O)/C=C/C(=O)OCCC#CC

DOS

IR

Vibrations