Geometry & MOs

Info

ID:	312341
PubChem CID:	126604347
Reduced:	NSC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	582.286701
ΔH_f, kcal/mol:	57.31
Dipole, Da:	2.11
IP(EA), eV:	-8.36(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminocyclopropyl)-2-[(2R)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]-2-methylpentanenitrile

Drug info:

PubChemData

Smile

C=C/C=C\1/CNCCS/C1=C/C=C

DOS

IR

Vibrations