Geometry & MOs

Info

ID:	352973
PubChem CID:	127284064
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-60.21
Dipole, Da:	3.63
IP(EA), eV:	-8.6(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCN1CCCCC1C(=O)N2CCSCC2

DOS

IR

Vibrations