Geometry & MOs

Info

ID:	329953
PubChem CID:	127246940
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	10.22
Dipole, Da:	4.79
IP(EA), eV:	-8.73(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations