Geometry & MOs

Info

ID:	370251
PubChem CID:	127337918
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	369.252861
ΔH_f, kcal/mol:	-75.22
Dipole, Da:	6.97
IP(EA), eV:	-8.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCC(CC3)OC4CCCC4

DOS

IR

Vibrations