Geometry & MOs

Info

ID:	305910
PubChem CID:	124974068
Reduced:	O3C23H28 (1)
Stoich.:	A3B23C28 (1)
Weight, g/mol:	401.221561
ΔH_f, kcal/mol:	-113.33
Dipole, Da:	4.74
IP(EA), eV:	-8.79(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[6-methyl-4-(4-methylanilino)pyridin-2-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C[C@@H](C[C@@H]1O)C(O[C@H]2C3=CC=C(C=C3)OC4=CC=CC=C4)(C)C

DOS

IR

Vibrations