Geometry & MOs

Info

ID:	329890
PubChem CID:	127246757
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-32.83
Dipole, Da:	3.44
IP(EA), eV:	-8.69(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-2-ethylpyrazol-3-yl)-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CCC(=O)N2CCCC2C3=CC(=NC=C3)NC

DOS

IR

Vibrations