Geometry & MOs

Info

ID:	149397
PubChem CID:	53789069
Reduced:	O4C15H30 (1)
Stoich.:	A4B15C30 (1)
Weight, g/mol:	375.04701
ΔH_f, kcal/mol:	-248.66
Dipole, Da:	2.53
IP(EA), eV:	-10.43(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzyl-2-cyanofuran-3-yl)methyl 2-bromo-3-methylbutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)OC(C)(CO)O

DOS

IR

Vibrations