Geometry & MOs

Info

ID:	315435
PubChem CID:	126626599
Reduced:	FIC10H12 (1)
Stoich.:	ABC10D12 (1)
Weight, g/mol:	565.291371
ΔH_f, kcal/mol:	-35.02
Dipole, Da:	1.96
IP(EA), eV:	-9.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[(3R)-3-[4-amino-3-[4-[[anilino(hydroxy)methyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(C)(C)I

DOS

IR

Vibrations