Geometry & MOs

Info

ID:	304566
PubChem CID:	124756297
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-59.35
Dipole, Da:	3.35
IP(EA), eV:	-9.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[methyl(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)[C@H](COC)NC(=O)C2CCN(CC2)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations