Geometry & MOs

Info

ID:	309119
PubChem CID:	126537843
Reduced:	SN3O5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	323.154624
ΔH_f, kcal/mol:	-131.48
Dipole, Da:	5.4
IP(EA), eV:	-8.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]-2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1COCCN1C(=O)COC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)O

DOS

IR

Vibrations