Geometry & MOs

Info

ID:	283205
PubChem CID:	103964042
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	270.07529
ΔH_f, kcal/mol:	58.79
Dipole, Da:	8.07
IP(EA), eV:	-9.21(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-(1,2-oxazol-3-ylmethyl)quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CNC2=C(C=NC3=CC=CC=C32)[N+](=O)[O-]

DOS

IR

Vibrations