Geometry & MOs

Info

ID:	353105
PubChem CID:	127284285
Reduced:	SN3O3C16H31 (1)
Stoich.:	AB3C3D16E31 (1)
Weight, g/mol:	347.19574
ΔH_f, kcal/mol:	-163.38
Dipole, Da:	6.47
IP(EA), eV:	-9.12(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1CCCN(C1)S(=O)(=O)C)N2CCCCC2

DOS

IR

Vibrations