Geometry & MOs

Info

ID:	370012
PubChem CID:	127337221
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	375.187067
ΔH_f, kcal/mol:	-1.05
Dipole, Da:	5.46
IP(EA), eV:	-8.49(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,4-difluorophenyl)ethyl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC(C)C3=CC=CC=C3C

DOS

IR

Vibrations