Geometry & MOs

Info

ID:	151535
PubChem CID:	53837768
Reduced:	NC4H4 (2)
Stoich.:	AB4C4 (2)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	79.81
Dipole, Da:	6.29
IP(EA), eV:	-10.64(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-nitrophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCC=C(C#N)C(=C)C#N

DOS

IR

Vibrations