Geometry & MOs

Info

ID:	347614
PubChem CID:	127272480
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-51.36
Dipole, Da:	7.02
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4

DOS

IR

Vibrations