Geometry & MOs

Info

ID:	425782
PubChem CID:	135127961
Reduced:	ClON5H24C28 (1)
Stoich.:	ABC5D24E28 (1)
Weight, g/mol:	353.05971
ΔH_f, kcal/mol:	104.86
Dipole, Da:	0.84
IP(EA), eV:	-9.11(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-phosphanylphenyl)-2-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C=CN=C/C=C\CC1=NC2=C(C=C(C=C2)Cl)C(=N1)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations