Geometry & MOs

Info

ID:	52729
PubChem CID:	12015795
Reduced:	SO4F9C32H37 (1)
Stoich.:	AB4C9D32E37 (1)
Weight, g/mol:	218.178299
ΔH_f, kcal/mol:	-648.14
Dipole, Da:	2.97
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-(pyridin-4-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

C[C@]1(CSC2=C([C@@H]1CCCCCCC(CCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)O)C=CC(=C2)O)C3=CC=C(C=C3)O

DOS

IR

Vibrations