Geometry & MOs

Info

ID:	368234
PubChem CID:	127327785
Reduced:	SO2N6C17H24 (1)
Stoich.:	AB2C6D17E24 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	7.49
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NC3=NC(=CS3)CN4CCOCC4

DOS

IR

Vibrations