Geometry & MOs

Info

ID:	418948
PubChem CID:	135107211
Reduced:	ClOF3N4H14C15 (1)
Stoich.:	ABC3D4E14F15 (1)
Weight, g/mol:	333.187484
ΔH_f, kcal/mol:	-143.01
Dipole, Da:	5.92
IP(EA), eV:	-8.91(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclohexylthiophen-2-yl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C2=C(C=C(C=N2)C(F)(F)F)Cl)O)CC3=NC=CN=C3

DOS

IR

Vibrations