Geometry & MOs

Info

ID:	136516
PubChem CID:	52055226
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	422.27941
ΔH_f, kcal/mol:	12.2
Dipole, Da:	3.51
IP(EA), eV:	-8.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCC(CC3)C(=O)N(CC=C)CC=C

DOS

IR

Vibrations