Geometry & MOs

Info

ID:	375042
PubChem CID:	131465312
Reduced:	BrNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	181.085127
ΔH_f, kcal/mol:	-220.18
Dipole, Da:	4.74
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(4-methyl-1,3-oxazol-2-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=CC(=C1)N)OC(F)(F)F)Br

DOS

IR

Vibrations