Geometry & MOs

Info

ID:	17346
PubChem CID:	493716
Reduced:	FN5H10C14 (1)
Stoich.:	AB5C10D14 (1)
Weight, g/mol:	267.092024
ΔH_f, kcal/mol:	63.71
Dipole, Da:	2.49
IP(EA), eV:	-9.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-7-[(4-fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(C3=C(N=CN=C32)N)C#N)F

DOS

IR

Vibrations