Geometry & MOs

Info

ID:	376442
PubChem CID:	134222455
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	-47.22
Dipole, Da:	5.47
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethylpropyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

Drug info:

PubChemData

Smile

CCCN(CC)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3

DOS

IR

Vibrations