Geometry & MOs

Info

ID:	302518
PubChem CID:	124365638
Reduced:	FN2O2C21H31 (1)
Stoich.:	AB2C2D21E31 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-147.31
Dipole, Da:	2.11
IP(EA), eV:	-8.91(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6,7-diethoxy-4-oxo-3H-quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1CC(=O)N2CCC[C@](CC2)(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations