Geometry & MOs

Info

ID:	411085
PubChem CID:	135083895
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	198.089209
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	2.64
IP(EA), eV:	-9.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-hydroxy-3-(5-methylfuran-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(=C)C1=CC=C(C=C1)Br

DOS

IR

Vibrations