Geometry & MOs

Info

ID:	11240
PubChem CID:	112339
Reduced:	N3C26H49 (1)
Stoich.:	A3B26C49 (1)
Weight, g/mol:	403.392649
ΔH_f, kcal/mol:	-86.26
Dipole, Da:	1.29
IP(EA), eV:	-8.64(3.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]amino]cyclohexyl]methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC(CCC1CC2CCC(CC2)NC3CCC(CC3)CC4CCC(CC4)N)N

DOS

IR

Vibrations