Geometry & MOs

Info

ID:	419524
PubChem CID:	135108344
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	1.31
IP(EA), eV:	-8.88(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations