Geometry & MOs

Info

ID:	320939
PubChem CID:	126664270
Reduced:	O2F4N5C20H21 (1)
Stoich.:	A2B4C5D20E21 (1)
Weight, g/mol:	485.1314
ΔH_f, kcal/mol:	-201.5
Dipole, Da:	4.98
IP(EA), eV:	-8.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1R)-1-(6-bromo-2,3-dimethylindazol-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C[C@H](C1CC(=O)NC1)OC2=CC(=CC3=NN(C(=C23)F)C)C4=CN(N=C4)CCC(F)(F)F

DOS

IR

Vibrations