Geometry & MOs

Info

ID:	283202
PubChem CID:	103963945
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	284.09094
ΔH_f, kcal/mol:	14.05
Dipole, Da:	8.02
IP(EA), eV:	-9.21(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-nitroquinolin-4-amine

Drug info:

PubChemData

Smile

CCCC(C)NC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-]

DOS

IR

Vibrations