Geometry & MOs

Info

ID:	62869
PubChem CID:	26737387
Reduced:	NO2C25H37 (1)
Stoich.:	AB2C25D37 (1)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-108.21
Dipole, Da:	2.09
IP(EA), eV:	-8.6(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-ethoxybutyl]amino]-1-methyl-3-nitroquinolin-2-one

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C[C@H](COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O

DOS

IR

Vibrations