Geometry & MOs

Info

ID:	416768
PubChem CID:	135090328
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	-101.31
Dipole, Da:	8.56
IP(EA), eV:	-9.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)C)CCC(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations