Geometry & MOs

Info

ID:	236241
PubChem CID:	92712002
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-0.9
Dipole, Da:	4.26
IP(EA), eV:	-8.33(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(1S)-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)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations