Geometry & MOs

Info

ID:	297891
PubChem CID:	117636399
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	-79.45
Dipole, Da:	2.76
IP(EA), eV:	-9.29(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(3-bromophenyl)-1,2-oxazol-5-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations