Geometry & MOs

Info

ID:	329705
PubChem CID:	127246572
Reduced:	ON3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	308.138559
ΔH_f, kcal/mol:	1.56
Dipole, Da:	6.0
IP(EA), eV:	-9.21(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations