Geometry & MOs

Info

ID:	346917
PubChem CID:	127271421
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	2.72
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(4-methylcyclohexyl)-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)CN2CCC(CC2)C3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations