Geometry & MOs

Info

ID:	224557
PubChem CID:	85344741
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	222.070365
ΔH_f, kcal/mol:	-13.6
Dipole, Da:	2.93
IP(EA), eV:	-9.3(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(difluoromethylidene)-2-hydroxy-6-methyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(CC=C)C(=O)N

DOS

IR

Vibrations