Geometry & MOs

Info

ID:	245413
PubChem CID:	99444466
Reduced:	BrFN2O3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	366.03792
ΔH_f, kcal/mol:	-140.43
Dipole, Da:	7.21
IP(EA), eV:	-9.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-N-ethyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=C(C=CC(=C1)Br)F)C(=O)C2=CC3=C(CCCC3=O)NC2=O

DOS

IR

Vibrations