Geometry & MOs

Info

ID:	439590
PubChem CID:	135229366
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	474.250315
ΔH_f, kcal/mol:	59.62
Dipole, Da:	4.84
IP(EA), eV:	-7.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R,4R)-4-fluoro-1-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-3-methylimidazo[1,2-a]pyrazin-6-yl]pyrrolidin-3-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC)NC2=CN=C(C3=C2N=CN3C)OCC4=CC=CC=C4

DOS

IR

Vibrations