Geometry & MOs

Info

ID:	352154
PubChem CID:	127283222
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-96.22
Dipole, Da:	2.6
IP(EA), eV:	-9.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[2-(2-methyl-1,4-oxazepan-4-yl)-2-oxoethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3CCC4=CC=CC=C34

DOS

IR

Vibrations