Geometry & MOs

Info

ID:	320934
PubChem CID:	126664265
Reduced:	ClN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	451.25834
ΔH_f, kcal/mol:	-98.79
Dipole, Da:	2.75
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=NN1C)C=C(N=C2O[C@H](C)[C@H]3CN(C(=O)O3)CC4=CC=C(C=C4)OC)Cl

DOS

IR

Vibrations