Geometry & MOs

Info

ID:	130445
PubChem CID:	51090875
Reduced:	FO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-36.4
Dipole, Da:	7.75
IP(EA), eV:	-9.61(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCC2)NC(=O)C3=C4C(=CC(=C3)F)NC=N4

DOS

IR

Vibrations