Geometry & MOs

Info

ID:	367649
PubChem CID:	127325178
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	3.37
IP(EA), eV:	-9.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-pyridin-3-ylbutanamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCC2)NC(=O)CC(C)C3=CN=CC=C3

DOS

IR

Vibrations