Geometry & MOs

Info

ID:	203319
PubChem CID:	79812572
Reduced:	ON2C18H38 (1)
Stoich.:	AB2C18D38 (1)
Weight, g/mol:	359.01685
ΔH_f, kcal/mol:	-115.95
Dipole, Da:	3.34
IP(EA), eV:	-9.22(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(2-bromo-5-fluorobenzoyl)morpholin-2-yl]acetate

Drug info:

PubChemData

Smile

CCCCCCN(CCCCCC)C(=O)C(CC)(CC)N

DOS

IR

Vibrations