Geometry & MOs

Info

ID:	198583
PubChem CID:	79120868
Reduced:	BrClN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	238.240899
ΔH_f, kcal/mol:	2.9
Dipole, Da:	2.66
IP(EA), eV:	-8.94(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-ethylcyclohexyl)-4-N-methylcyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Cl)Br)C2CCC(CC2)N

DOS

IR

Vibrations