Geometry & MOs

Info

ID:	321818
PubChem CID:	126667015
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	435.122193
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	5.16
IP(EA), eV:	-8.93(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-5-fluoropyridin-3-yl)methyl]-4-[[(3R,4R)-4-hydroxyoxan-3-yl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN(C2=C1C=CC(=C2)C(=O)N3CCCCCCCCCC3)C4=NC=C(C=N4)O)O

DOS

IR

Vibrations