Geometry & MOs

Info

ID:	370320
PubChem CID:	127338057
Reduced:	ON8C17H24 (1)
Stoich.:	AB8C17D24 (1)
Weight, g/mol:	391.157516
ΔH_f, kcal/mol:	36.08
Dipole, Da:	6.38
IP(EA), eV:	-8.62(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-chloro-4-fluorophenyl)ethyl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NC3CCC4=NC=NN4C3

DOS

IR

Vibrations