Geometry & MOs

Info

ID:	196893
PubChem CID:	78891746
Reduced:	ClO3N4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	-28.5
Dipole, Da:	5.02
IP(EA), eV:	-9.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(N=N2)C(=O)N(CC3=CC=C(C=C3)Cl)CC(=O)OC

DOS

IR

Vibrations