Geometry & MOs

Info

ID:	146028
PubChem CID:	53625277
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	63.67
Dipole, Da:	6.3
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]oxolan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2CN(C2)CC3=NC(=NO3)C4=CC=CC=C4OC)C

DOS

IR

Vibrations