Geometry & MOs

Info

ID:	347551
PubChem CID:	127272406
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-155.79
Dipole, Da:	2.31
IP(EA), eV:	-8.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1(OC2=C(O1)C=C(C=C2)NC(=O)C3CSCN3C(=O)C4CCCC4)C

DOS

IR

Vibrations