Geometry & MOs

Info

ID:	60326
PubChem CID:	26683808
Reduced:	BrN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	388.04226
ΔH_f, kcal/mol:	-76.72
Dipole, Da:	5.77
IP(EA), eV:	-8.62(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OCCCC(=O)NC2=CC3=C(C=C2)NC(=O)N3

DOS

IR

Vibrations