Geometry & MOs

Info

ID:	137647
PubChem CID:	52240176
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-25.07
Dipole, Da:	2.9
IP(EA), eV:	-8.53(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-2-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CN([C@@H](C2=CC=CN21)C3=CC=CC=C3)CC(=O)N4CCOCC4

DOS

IR

Vibrations