Geometry & MOs

Info

ID:	258765
PubChem CID:	103156884
Reduced:	BrF2N2O2C11H13 (1)
Stoich.:	AB2C2D2E11F13 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-157.73
Dipole, Da:	4.91
IP(EA), eV:	-9.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-1-(3-methoxy-4-methylpiperidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC(=C(C=C1F)F)Br)CN

DOS

IR

Vibrations