Geometry & MOs

Info

ID:	141122
PubChem CID:	52820941
Reduced:	BrN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	409.1001
ΔH_f, kcal/mol:	-104.25
Dipole, Da:	2.02
IP(EA), eV:	-9.2(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CN2CCO[C@@H](C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations