Geometry & MOs

Info

ID:	121892
PubChem CID:	50785677
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	492.321275
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	5.2
IP(EA), eV:	-8.22(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN=C(C=C2)N3CCOCC3)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations