Geometry & MOs

Info

ID:	442963
PubChem CID:	135257151
Reduced:	ClOSN7C22H28 (1)
Stoich.:	ABCD7E22F28 (1)
Weight, g/mol:	184.157563
ΔH_f, kcal/mol:	28.69
Dipole, Da:	1.0
IP(EA), eV:	-8.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1,6-diazacycloundecan-7-one

Drug info:

PubChemData

Smile

C[C@H]1C(C2(CCN(CC2)C3=NC(=C(N4C3=NC=C4)SC5=C(C(=NC=C5)N)Cl)C)CO1)(C)N

DOS

IR

Vibrations