Geometry & MOs

Info

ID:	439536
PubChem CID:	135229312
Reduced:	FOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	467.219349
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	1.65
IP(EA), eV:	-8.74(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-(3-methylcyclobuten-1-yl)purin-2-yl]pyrrolidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCC(CC)C1=CC=CC=C1OCCCF

DOS

IR

Vibrations