Geometry & MOs

Info

ID:	353139
PubChem CID:	127284319
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	4.23
IP(EA), eV:	-9.23(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations