Geometry & MOs

Info

ID:	82040
PubChem CID:	49855515
Reduced:	FON7C15H16 (1)
Stoich.:	ABC7D15E16 (1)
Weight, g/mol:	311.149458
ΔH_f, kcal/mol:	33.89
Dipole, Da:	7.77
IP(EA), eV:	-8.49(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3-methylpyrrolidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=NN2)NC(=O)C3=C4N=CC=CN4N=C3)F

DOS

IR

Vibrations