Geometry & MOs

Info

ID:	330160
PubChem CID:	127247147
Reduced:	ON3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	296.138559
ΔH_f, kcal/mol:	26.53
Dipole, Da:	2.77
IP(EA), eV:	-9.46(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3(CC3)C4=CC=CC=C4

DOS

IR

Vibrations