Geometry & MOs

Info

ID:	270969
PubChem CID:	103639029
Reduced:	BrN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	308.01604
ΔH_f, kcal/mol:	3.78
Dipole, Da:	7.45
IP(EA), eV:	-9.57(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations