Geometry & MOs

Info

ID:	367009
PubChem CID:	127322864
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-69.93
Dipole, Da:	1.43
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)CN2C(=O)CN3C4=CC=CC=C4C=C3C2=O

DOS

IR

Vibrations