Geometry & MOs

Info

ID:	135755
PubChem CID:	51928602
Reduced:	ClN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	411.159434
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	2.91
IP(EA), eV:	-8.8(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C)[C@@H](C2=CC=CC=C2Cl)C(=O)OC

DOS

IR

Vibrations