Geometry & MOs

Info

ID:	367552
PubChem CID:	127324920
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-63.29
Dipole, Da:	2.37
IP(EA), eV:	-8.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)CC3=NN=C(O3)C

DOS

IR

Vibrations