Geometry & MOs

Info

ID:	121891
PubChem CID:	50785664
Reduced:	S2O4N5C22H23 (1)
Stoich.:	A2B4C5D22E23 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-52.45
Dipole, Da:	1.92
IP(EA), eV:	-8.9(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=C(C=CS2)N3C1=NN=C3SCC(=O)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations