Geometry & MOs

Info

ID:	420542
PubChem CID:	135113741
Reduced:	FNOC9H12 (2)
Stoich.:	ABCD9E12 (2)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-173.89
Dipole, Da:	5.01
IP(EA), eV:	-9.03(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)F

DOS

IR

Vibrations