Geometry & MOs

Info

ID:	305932
PubChem CID:	124975029
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	23.46
Dipole, Da:	3.16
IP(EA), eV:	-8.89(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-[3-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N2CCC[C@H]2C3=NC=CC(=N3)CN(C)C

DOS

IR

Vibrations