Geometry & MOs

Info

ID:	209183
PubChem CID:	80636519
Reduced:	SN3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-5.89
Dipole, Da:	2.38
IP(EA), eV:	-8.4(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-[5-[(propan-2-ylamino)methyl]pyridin-2-yl]piperazine-2,6-dione

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1)CC(C)C)C2CCCS2

DOS

IR

Vibrations