Geometry & MOs

Info

ID:	329731
PubChem CID:	127246598
Reduced:	ON6C17H18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	322.190595
ΔH_f, kcal/mol:	68.37
Dipole, Da:	4.06
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-3-[[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations