Geometry & MOs

Info

ID:	10673
PubChem CID:	106515
Reduced:	N3O7C28H51 (1)
Stoich.:	A3B7C28D51 (1)
Weight, g/mol:	541.372701
ΔH_f, kcal/mol:	-351.57
Dipole, Da:	6.62
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-heptadec-8-enyl-4,5-dihydroimidazol-1-yl)ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC1=NCCN1CCN.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations