Geometry & MOs

Info

ID:	164085
PubChem CID:	74381832
Reduced:	NO4C31H41 (1)
Stoich.:	AB4C31D41 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-167.51
Dipole, Da:	1.68
IP(EA), eV:	-8.46(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(1-propan-2-ylpiperidin-4-yl)oxypyridin-3-yl]-3H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=NOCC(=O)OC)CCC4=CC(=C(C=C34)C56CC7CC(C5)CC(C7)C6)O

DOS

IR

Vibrations