Geometry & MOs

Info

ID:	85227
PubChem CID:	49872613
Reduced:	O5C21H30 (1)
Stoich.:	A5B21C30 (1)
Weight, g/mol:	376.224974
ΔH_f, kcal/mol:	-218.37
Dipole, Da:	4.88
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-methylpropyl) 2-[(4-butoxyphenyl)methylidene]propanedioate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C=C(C(=O)OCC(C)C)C(=O)OCC(C)C

DOS

IR

Vibrations