Geometry & MOs

Info

ID:	349848
PubChem CID:	127276240
Reduced:	ON6C19H28 (1)
Stoich.:	AB6C19D28 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	3.36
Dipole, Da:	5.04
IP(EA), eV:	-8.57(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)CC(=O)N3CCCC3CN4CCCCC4)C

DOS

IR

Vibrations