Geometry & MOs

Info

ID:	306388
PubChem CID:	125011535
Reduced:	FO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-50.02
Dipole, Da:	2.72
IP(EA), eV:	-8.93(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)[C@H]2CN(CCO2)C(=O)C3=CC4=C(N3)C(=CC=C4)F

DOS

IR

Vibrations