Geometry & MOs

Info

ID:	445971
PubChem CID:	135270158
Reduced:	OSN7C19H23 (1)
Stoich.:	ABC7D19E23 (1)
Weight, g/mol:	471.218287
ΔH_f, kcal/mol:	68.68
Dipole, Da:	2.41
IP(EA), eV:	-8.55(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-amino-6-(5-phenyl-4H-pyrazol-3-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)SC1=CC=C(C=C1)C2=CN=C(C(=N2)C3=NN=C(O3)N4CCC(C4)N)N

DOS

IR

Vibrations