Geometry & MOs

Info

ID:	363927
PubChem CID:	127313584
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-7.05
Dipole, Da:	4.94
IP(EA), eV:	-9.45(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(=O)N2CCCC(C2)(C)C)C#N

DOS

IR

Vibrations