Geometry & MOs

Info

ID:	413117
PubChem CID:	135086061
Reduced:	BrN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	308.116092
ΔH_f, kcal/mol:	-11.77
Dipole, Da:	3.82
IP(EA), eV:	-9.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1COC(=N1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations