Geometry & MOs

Info

ID:	121526
PubChem CID:	50771965
Reduced:	O2N6C25H34 (1)
Stoich.:	A2B6C25D34 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-11.91
Dipole, Da:	3.36
IP(EA), eV:	-7.86(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NN=C(C=C4)N5CCCC5

DOS

IR

Vibrations