Geometry & MOs

Info

ID:	423330
PubChem CID:	135119320
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-104.93
Dipole, Da:	7.13
IP(EA), eV:	-8.84(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-pyridin-3-yloxyethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CN2C[C@@H]3COC[C@H](C2)NC3=O

DOS

IR

Vibrations