Geometry & MOs

Info

ID:	400545
PubChem CID:	135048289
Reduced:	AlO3C34H57 (1)
Stoich.:	AB3C34D57 (1)
Weight, g/mol:	356.237019
ΔH_f, kcal/mol:	-224.99
Dipole, Da:	4.68
IP(EA), eV:	-8.53(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bis(5-methoxy-5-oxopentyl)boranylpentanoate

Drug info:

PubChemData

Smile

CCOCC.CC1=CC(=C(C(=C1)C(C)(C)C)O[AlH]OC2=C(C=C(C=C2C(C)(C)C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations