Geometry & MOs

Info

ID:	29301
PubChem CID:	832865
Reduced:	N3O4H15C16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	342.00039
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	4.94
IP(EA), eV:	-8.85(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-yl)-3-(4-bromoanilino)prop-2-enal

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NN=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations