Geometry & MOs

Info

ID:	323430
PubChem CID:	126674793
Reduced:	F3N5O5C22H28 (1)
Stoich.:	A3B5C5D22E28 (1)
Weight, g/mol:	481.182455
ΔH_f, kcal/mol:	-329.84
Dipole, Da:	6.8
IP(EA), eV:	-9.3(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]methoxy]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1NC(=O)NC2CCC(CC2)OC3=NC(=NC=C3)NCCO)C(F)(F)F)CO

DOS

IR

Vibrations