Geometry & MOs

Info

ID:	197788
PubChem CID:	78996954
Reduced:	N2O3C14H26 (1)
Stoich.:	A2B3C14D26 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-159.8
Dipole, Da:	7.25
IP(EA), eV:	-9.57(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(C)CCN(C1CC1)C(=O)NC(C)(C)CC(=O)O

DOS

IR

Vibrations