Geometry & MOs

Info

ID:	328862
PubChem CID:	126728396
Reduced:	SO2N5C26H29 (1)
Stoich.:	AB2C5D26E29 (1)
Weight, g/mol:	350.160598
ΔH_f, kcal/mol:	-20.69
Dipole, Da:	6.01
IP(EA), eV:	-8.81(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[3-(trifluoromethoxy)phenyl]pyridin-3-yl]methyl]cyclohexanamine

Drug info:

PubChemData

Smile

C1CC(CCC1CNCC2=CC=CC3=CC=CC=C32)NC4=NC=CC(=N4)/C=C\5/C(NC(=O)S5)O

DOS

IR

Vibrations