Geometry & MOs

Info

ID:	330374
PubChem CID:	127247361
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	54.34
Dipole, Da:	7.97
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations