Geometry & MOs

Info

ID:	318604
PubChem CID:	126652218
Reduced:	FO2N4C30H37 (1)
Stoich.:	AB2C4D30E37 (1)
Weight, g/mol:	384.04471
ΔH_f, kcal/mol:	-94.3
Dipole, Da:	9.19
IP(EA), eV:	-8.37(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-4,5-dimethylcyclopenten-1-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)N(C2=C(C3=C(N2)C=C(C=C3)C#N)C)C(C)C)F)C4CCN(CC4)C(=O)OC(C)(C)C

DOS

IR

Vibrations