Geometry & MOs

Info

ID:	328835
PubChem CID:	126728335
Reduced:	N5O10C28H39 (1)
Stoich.:	A5B10C28D39 (1)
Weight, g/mol:	334.165683
ΔH_f, kcal/mol:	-349.08
Dipole, Da:	6.49
IP(EA), eV:	-9.68(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[4-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]cyclohexanamine

Drug info:

PubChemData

Smile

CC1=NN=C(N=N1)C2=CC=C(C=C2)CNC(=O)C3C(C(C(C(O3)OC4C(C(C(OC4C(=O)O)C(C)C)O)O)O)O)C(C)C

DOS

IR

Vibrations