Geometry & MOs

Info

ID:	24159
PubChem CID:	608106
Reduced:	ClO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	269.093104
ΔH_f, kcal/mol:	2.4
Dipole, Da:	7.39
IP(EA), eV:	-9.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-nitrophenyl)-3,5-dimethylpiperazine

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations