Geometry & MOs

Info

ID:	247472
PubChem CID:	103071687
Reduced:	O2N4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	276.163791
ΔH_f, kcal/mol:	70.99
Dipole, Da:	4.91
IP(EA), eV:	-9.44(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

C=C(CN)CN1C2=C(C=CC(=C2)[N+](=O)[O-])C=N1

DOS

IR

Vibrations