Geometry & MOs

Info

ID:	121502
PubChem CID:	50771029
Reduced:	SN2O2H11C12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	407.268511
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	5.01
IP(EA), eV:	-8.68(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylphenyl)methyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4CCCO4)SC5=C3C=CC=N5

DOS

IR

Vibrations