Geometry & MOs

Info

ID:	305843
PubChem CID:	124971464
Reduced:	ON6H22C23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	398.185509
ΔH_f, kcal/mol:	74.23
Dipole, Da:	4.23
IP(EA), eV:	-9.15(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-quinolin-3-ylmethanone

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=CC3=CC=CC=C3N=C2)CC4=CN=C(C=N4)C5=NC=CN5

DOS

IR

Vibrations