Geometry & MOs

Info

ID:	305552
PubChem CID:	124959482
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	335.141596
ΔH_f, kcal/mol:	-97.03
Dipole, Da:	2.85
IP(EA), eV:	-9.19(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1H-pyrazol-4-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCC[C@H](C2)C3=NC=C(O3)CC4=CC=CC=C4

DOS

IR

Vibrations