Geometry & MOs

Info

ID:	185240
PubChem CID:	77274316
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-9.77
Dipole, Da:	8.59
IP(EA), eV:	-8.94(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-butyl-6-(1-methylpiperidin-4-yl)oxy-3H-pyridazin-4-ylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CN(C1CC1)C2CCC(CC2)OC3=CC4=CC=NC(=O)C4C=C3

DOS

IR

Vibrations