Geometry & MOs

Info

ID:	306231
PubChem CID:	125003137
Reduced:	NO4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	390.149204
ΔH_f, kcal/mol:	-162.44
Dipole, Da:	7.04
IP(EA), eV:	-9.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCCC[C@H]1C2=CC=CC(=C2)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations