Geometry & MOs

Info

ID:	330113
PubChem CID:	127247100
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	296.174945
ΔH_f, kcal/mol:	45.49
Dipole, Da:	7.42
IP(EA), eV:	-9.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-3-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CN2C=C(N=C2C=C1)C(=O)N3CCC(C3)C4=CC=NN4

DOS

IR

Vibrations