Geometry & MOs

Info

ID:	417618
PubChem CID:	135102262
Reduced:	N3O4C16H25 (1)
Stoich.:	A3B4C16D25 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-142.31
Dipole, Da:	4.23
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CC(=O)N[C@@]2(CCOC3([C@H]2O)CCNCC3)C

DOS

IR

Vibrations