Geometry & MOs

Info

ID:	320910
PubChem CID:	126664232
Reduced:	Cl2N3H7C8 (1)
Stoich.:	A2B3C7D8 (1)
Weight, g/mol:	489.10633
ΔH_f, kcal/mol:	47.77
Dipole, Da:	7.27
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1R)-1-(6-bromo-3-fluoro-2-methylindazol-4-yl)oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=NN1C)C=C(N=C2Cl)Cl

DOS

IR

Vibrations