Geometry & MOs

Info

ID:	351232
PubChem CID:	127279790
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	4.86
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCCC(C3)CC4=NOC(=N4)C

DOS

IR

Vibrations