Geometry & MOs

Info

ID:	435441
PubChem CID:	135191472
Reduced:	F3O4N7C20H22 (1)
Stoich.:	A3B4C7D20E22 (1)
Weight, g/mol:	335.093773
ΔH_f, kcal/mol:	-186.99
Dipole, Da:	9.9
IP(EA), eV:	-8.85(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-chloro-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C(=CCN1)C(=O)NCC2COCCN2C(=O)NC3=CC=C(C=C3)C4=NOC(=N4)C(F)(F)F

DOS

IR

Vibrations