Geometry & MOs

Info

ID:	238731
PubChem CID:	92765304
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	258.169191
ΔH_f, kcal/mol:	-38.54
Dipole, Da:	4.11
IP(EA), eV:	-8.44(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)[C@@H](C)C(=O)N[C@H](C)C2=CC=CC=C2

DOS

IR

Vibrations