Geometry & MOs

Info

ID:	124433
PubChem CID:	50883152
Reduced:	N2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	307.153206
ΔH_f, kcal/mol:	-5.74
Dipole, Da:	6.32
IP(EA), eV:	-9.98(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylpiperazin-1-yl)-(2-methoxy-5-methyl-3-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C)OC)C#N)[N+](=O)[O-]

DOS

IR

Vibrations