Geometry & MOs

Info

ID:	361254
PubChem CID:	127302418
Reduced:	O4N5C15H21 (1)
Stoich.:	A4B5C15D21 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-125.37
Dipole, Da:	0.94
IP(EA), eV:	-10.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2(CCCCCC2)NC(=O)CN3CC(=O)NC3=O

DOS

IR

Vibrations