Geometry & MOs

Info

ID:	236244
PubChem CID:	92712014
Reduced:	OF3N3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-124.57
Dipole, Da:	1.64
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(1S)-1-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

C1CN([C@@H](C2=CC=CN21)CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations