Geometry & MOs

Info

ID:	418575
PubChem CID:	135105863
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	6.53
IP(EA), eV:	-8.82(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)[C@@H](C2=CC=CC=C2)OC

DOS

IR

Vibrations