Geometry & MOs

Info

ID:	71756
PubChem CID:	48415331
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	18.47
Dipole, Da:	2.87
IP(EA), eV:	-8.81(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCCC3=CC=CC=C23

DOS

IR

Vibrations