Geometry & MOs

Info

ID:	141643
PubChem CID:	52906873
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	445.259009
ΔH_f, kcal/mol:	-40.8
Dipole, Da:	5.74
IP(EA), eV:	-8.8(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyridazin-3-yl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CC=C1CN(C2CC2)C(=O)[C@@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations