Geometry & MOs

Info

ID:	329954
PubChem CID:	127246941
Reduced:	ON6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	23.93
Dipole, Da:	3.64
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=NN1CCC(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations