Geometry & MOs

Info

ID:	304469
PubChem CID:	124752998
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-47.88
Dipole, Da:	4.1
IP(EA), eV:	-9.07(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-cyclopentyl-4-[[methyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(O1)C(=O)N)CN2CCCC[C@@H]2C3=NC=CS3

DOS

IR

Vibrations