Geometry & MOs

Info

ID:	137646
PubChem CID:	52239990
Reduced:	ON7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	95.28
Dipole, Da:	9.67
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C3=CC=CC=C3N=C2NC(=O)CC4=CC=C(C=C4)N5C=NN=N5

DOS

IR

Vibrations