Geometry & MOs

Info

ID:	274596
PubChem CID:	103810479
Reduced:	BrN2O2F3C10H10 (1)
Stoich.:	AB2C2D3E10F10 (1)
Weight, g/mol:	229.142641
ΔH_f, kcal/mol:	-207.23
Dipole, Da:	3.95
IP(EA), eV:	-9.42(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-3-methyl-1-oxobutan-2-yl)morpholine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1NC(=O)COCC(F)(F)F)Br

DOS

IR

Vibrations