Geometry & MOs

Info

ID:	19438
PubChem CID:	563744
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	10.84
Dipole, Da:	3.41
IP(EA), eV:	-9.9(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-nitrophenyl)-4-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1C(C(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations