Geometry & MOs

Info

ID:	310624
PubChem CID:	126583916
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	391.367496
ΔH_f, kcal/mol:	-37.62
Dipole, Da:	4.59
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-2-[ethyl-[12-(2-methylimidazol-1-yl)dodecyl]amino]ethenyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=C(C=C2)NC=C3CCC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations