Geometry & MOs

Info

ID:	405573
PubChem CID:	135074477
Reduced:	O3C30H40 (1)
Stoich.:	A3B30C40 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-106.35
Dipole, Da:	2.18
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-[(E)-3-but-3-ynoxybut-2-enoxy]prop-2-enoxy]methylbenzene

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=O)C23CC4=CCCC(C4CCC2(C1=O)CC(=CC3C=C(C)C)C=C)(C)C)O

DOS

IR

Vibrations