Geometry & MOs

Info

ID:	320937
PubChem CID:	126664268
Reduced:	ClN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	439.163138
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	6.34
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1R)-1-[3-fluoro-2-methyl-6-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]indazol-4-yl]oxyethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=NN1C)C=C(N=C2O[C@H](C)C3CN(C(=O)O3)CC4=CC=C(C=C4)OC)Cl

DOS

IR

Vibrations