Geometry & MOs

Info

ID:	306377
PubChem CID:	125011498
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	35.75
Dipole, Da:	3.65
IP(EA), eV:	-8.83(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-(imidazol-1-ylmethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC2=CC=CC(=N2)[C@H]3CCCNC3

DOS

IR

Vibrations