Geometry & MOs

Info

ID:	329976
PubChem CID:	127246963
Reduced:	N5C16H27 (1)
Stoich.:	A5B16C27 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	28.28
Dipole, Da:	4.36
IP(EA), eV:	-8.35(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations