Geometry & MOs

Info

ID:	421976
PubChem CID:	135116948
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-35.03
Dipole, Da:	5.21
IP(EA), eV:	-9.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C1=CN=CC=C1)NC(=O)C2=CN=C(C=C2)OC

DOS

IR

Vibrations