Geometry & MOs

Info

ID:	312327
PubChem CID:	126604311
Reduced:	FC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	647.217843
ΔH_f, kcal/mol:	-80.52
Dipole, Da:	0.66
IP(EA), eV:	-8.98(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[(3R)-3-[4-amino-3-[4-(3,4-dichlorophenoxy)-3-methoxyphenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-6,6-dimethylhept-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CC(C)C2=C(C=CC=C2F)F

DOS

IR

Vibrations