Geometry & MOs

Info

ID:	325272
PubChem CID:	126682424
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	200.152478
ΔH_f, kcal/mol:	-74.98
Dipole, Da:	4.81
IP(EA), eV:	-8.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCN1CCCNC2=C3C(=C(C=C2)CCCCN)C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations