Geometry & MOs

Info

ID:	121893
PubChem CID:	50785754
Reduced:	ON3C14H20 (2)
Stoich.:	AB3C14D20 (2)
Weight, g/mol:	433.168081
ΔH_f, kcal/mol:	-27.19
Dipole, Da:	4.44
IP(EA), eV:	-8.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)C3CCCN(C3)C4=NN=C(C=C4)N5CCOCC5

DOS

IR

Vibrations