Geometry & MOs

Info

ID:	346604
PubChem CID:	127271108
Reduced:	N3O4C17H27 (1)
Stoich.:	A3B4C17D27 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-208.46
Dipole, Da:	4.14
IP(EA), eV:	-9.66(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-(oxolan-2-yl)propan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)CCN2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations