Geometry & MOs

Info

ID:	199860
PubChem CID:	79308880
Reduced:	O3N6C12H14 (1)
Stoich.:	A3B6C12D14 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-12.02
Dipole, Da:	5.28
IP(EA), eV:	-9.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CCOC1=NC=NC(=C1)N2CC(C2)N3C=C(N=N3)C(=O)O

DOS

IR

Vibrations