Geometry & MOs

Info

ID:	330006
PubChem CID:	127246993
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	9.5
Dipole, Da:	5.42
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)CC(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations