Geometry & MOs

Info

ID:	423457
PubChem CID:	135119533
Reduced:	NF2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-257.08
Dipole, Da:	4.98
IP(EA), eV:	-9.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations