Geometry & MOs

Info

ID:	416829
PubChem CID:	135090494
Reduced:	N3O3C18H23 (2)
Stoich.:	A3B3C18D23 (2)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-196.66
Dipole, Da:	6.16
IP(EA), eV:	-9.23(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-7-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)C4=C(ON=C4C)C

DOS

IR

Vibrations