Geometry & MOs

Info

ID:	321701
PubChem CID:	126666822
Reduced:	NO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	423.145516
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	4.72
IP(EA), eV:	-10.4(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyano-5-fluorophenyl)methyl]-4-[[(1R,4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@H]1O)NC(=O)O

DOS

IR

Vibrations