Geometry & MOs

Info

ID:	172190
PubChem CID:	75476767
Reduced:	F2O2N4H14C15 (1)
Stoich.:	A2B2C4D14E15 (1)
Weight, g/mol:	343.02193
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	3.92
IP(EA), eV:	-9.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-acetyl-4-bromo-6-fluorophenoxy)-N-(cyclopropylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)NC(=O)N2CCC3=C(C2)C=C(C=C3F)F

DOS

IR

Vibrations