Geometry & MOs

Info

ID:	306279
PubChem CID:	125003524
Reduced:	FN2O2H23C26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	369.173565
ΔH_f, kcal/mol:	-44.38
Dipole, Da:	2.96
IP(EA), eV:	-8.93(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[3-[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=CC(=C2)C(=O)N3CCC[C@H](C3)C4=CC=CC(=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations