Geometry & MOs

Info

ID:	395454
PubChem CID:	135025516
Reduced:	F6H15C17 (1)
Stoich.:	A6B15C17 (1)
Weight, g/mol:	375.256215
ΔH_f, kcal/mol:	-289.83
Dipole, Da:	4.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.894565
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[3-(6-methoxynaphthalen-2-yl)prop-2-ynyl]cyclohexanamine

Drug info:

PubChemData

Smile

C[C-]1C(=C(C(=C1C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C)C

DOS

IR

Vibrations