Geometry & MOs

Info

ID:	353084
PubChem CID:	127284241
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	6.29
IP(EA), eV:	-9.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

DOS

IR

Vibrations