Geometry & MOs

Info

ID:	361188
PubChem CID:	127302132
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-110.37
Dipole, Da:	8.72
IP(EA), eV:	-9.19(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(dimethylamino)cycloheptyl]methyl]-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCC(C3)C(=O)N4CCOCC4

DOS

IR

Vibrations