Geometry & MOs

Info

ID:	329925
PubChem CID:	127246792
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	39.58
Dipole, Da:	4.46
IP(EA), eV:	-8.4(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2C(=O)C3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations