Geometry & MOs

Info

ID:	416950
PubChem CID:	135090895
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	394.175339
ΔH_f, kcal/mol:	-95.85
Dipole, Da:	6.26
IP(EA), eV:	-9.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC=CC(=N1)CN2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations