Geometry & MOs

Info

ID:	422305
PubChem CID:	135117607
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	1.09
IP(EA), eV:	-9.33(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)N[C@H]2COC[C@H]2CC3=CC=NC=C3)OC

DOS

IR

Vibrations