Geometry & MOs

Info

ID:	329761
PubChem CID:	127246628
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	59.91
Dipole, Da:	5.19
IP(EA), eV:	-9.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CCN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations