Geometry & MOs

Info

ID:	423942
PubChem CID:	135120820
Reduced:	O3N6C18H26 (1)
Stoich.:	A3B6C18D26 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-100.8
Dipole, Da:	4.71
IP(EA), eV:	-8.76(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

Drug info:

PubChemData

Smile

CN1C(=O)C2(CCN(CC2)C3=NC=CC(=N3)N4CCCC(C4)O)N(C1=O)C

DOS

IR

Vibrations