Geometry & MOs

Info

ID:	28901
PubChem CID:	830465
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	24.65
Dipole, Da:	6.12
IP(EA), eV:	-10.96(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-(3-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@](C1(C)C)(C3=NC(=C(N=C23)C#N)C#N)C(=O)O

DOS

IR

Vibrations