Geometry & MOs

Info

ID:	73941
PubChem CID:	48421232
Reduced:	N2F3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	-256.03
Dipole, Da:	7.47
IP(EA), eV:	-8.41(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(F)(F)F)C)C(=O)COC2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations