Geometry & MOs

Info

ID:	198580
PubChem CID:	79120865
Reduced:	F3N3C13H18 (1)
Stoich.:	A3B3C13D18 (1)
Weight, g/mol:	280.287849
ΔH_f, kcal/mol:	-142.7
Dipole, Da:	4.83
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-tert-butylcycloheptyl)-4-N-methylcyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CN(C1CCC(CC1)N)C2=CC=CC(=N2)C(F)(F)F

DOS

IR

Vibrations