Geometry & MOs

Info

ID:	329964
PubChem CID:	127246951
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	-8.73
Dipole, Da:	6.22
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations