Geometry & MOs

Info

ID:	151679
PubChem CID:	56261102
Reduced:	BrN3O5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	400.04226
ΔH_f, kcal/mol:	-136.75
Dipole, Da:	6.77
IP(EA), eV:	-9.56(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methoxy]-N-(3,5-dimethyl-1,2-oxazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)NC(C3=CC=C(C=C3)Br)C(=O)OC

DOS

IR

Vibrations