Geometry & MOs

Info

ID:	320935
PubChem CID:	126664266
Reduced:	O3N5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	451.25834
ΔH_f, kcal/mol:	-67.78
Dipole, Da:	4.08
IP(EA), eV:	-8.3(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-[6-[1-(2,2-dimethyloxan-4-yl)pyrazol-4-yl]-2,3-dimethylindazol-4-yl]oxyethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=CC2=NN1C)C3=CN(N=C3)[C@@H]4CCOC(C4)(C)C)O[C@H](C)[C@@H]5CC(=O)NC5

DOS

IR

Vibrations