Geometry & MOs

Info

ID:	236242
PubChem CID:	92712003
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-134.37
Dipole, Da:	4.89
IP(EA), eV:	-8.6(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(1R)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC[C@H]1C2=CC=CN2CCN1C(=O)NCCC(=O)OCC

DOS

IR

Vibrations