Geometry & MOs

Info

ID:	160397
PubChem CID:	57309745
Reduced:	Cl2N3C6H9 (1)
Stoich.:	A2B3C6D9 (1)
Weight, g/mol:	405.36068
ΔH_f, kcal/mol:	10.77
Dipole, Da:	5.11
IP(EA), eV:	-10.35(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(octadeca-9,12-dienylamino)methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=N)C(C(=N)CC1(N)Cl)Cl

DOS

IR

Vibrations