Geometry & MOs

Info

ID:	200885
PubChem CID:	79458059
Reduced:	ClN2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	253.251798
ΔH_f, kcal/mol:	-3.26
Dipole, Da:	1.89
IP(EA), eV:	-9.09(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(1-tert-butylpiperidin-4-yl)cyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

C1CC(CC(C1)NCC2=CC=CC=C2Cl)N

DOS

IR

Vibrations