Geometry & MOs

Info

ID:	420801
PubChem CID:	135114829
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	3.17
IP(EA), eV:	-8.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CN3CCC[C@@]4(C3)CCC[C@H]4O

DOS

IR

Vibrations