Geometry & MOs

Info

ID:	172165
PubChem CID:	75473792
Reduced:	SN4O4C19H26 (1)
Stoich.:	AB4C4D19E26 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	-122.88
Dipole, Da:	3.68
IP(EA), eV:	-8.85(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[5-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)N2CCCC(C2)C3=C(C=NN3)NS(=O)(=O)C)C

DOS

IR

Vibrations