Geometry & MOs

Info

ID:	172021
PubChem CID:	75455228
Reduced:	BrIF2N3H11C12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	250.07537
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	5.54
IP(EA), eV:	-8.79(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NCC2=NC=CN2C(F)F)I)Br

DOS

IR

Vibrations