Geometry & MOs

Info

ID:	125987
PubChem CID:	50946899
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	341.140036
ΔH_f, kcal/mol:	43.97
Dipole, Da:	5.49
IP(EA), eV:	-8.38(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2N(N1)C3=NN=C(C=C3)N4CCCC4)C5=CC=C(C=C5)O

DOS

IR

Vibrations