Geometry & MOs

Info

ID:	121889
PubChem CID:	50785600
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	439.25834
ΔH_f, kcal/mol:	-21.48
Dipole, Da:	4.12
IP(EA), eV:	-8.81(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2CCCN(C2)C3=NN=C(C=C3)N4CCOCC4

DOS

IR

Vibrations