Geometry & MOs

Info

ID:	160287
PubChem CID:	57309634
Reduced:	SN2C27H28 (1)
Stoich.:	AB2C27D28 (1)
Weight, g/mol:	482.408358
ΔH_f, kcal/mol:	82.3
Dipole, Da:	3.26
IP(EA), eV:	-7.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,9-diamino-5-cyclohexyl-5-methylnonan-2-yl)dodecanedioic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CCC3=CC=CC=C32)CCCN4C5=CC=CC6=C5C(=CC=C6)S4

DOS

IR

Vibrations