Geometry & MOs

Info

ID:	149704
PubChem CID:	53789378
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	407.207214
ΔH_f, kcal/mol:	-110.61
Dipole, Da:	4.25
IP(EA), eV:	-8.75(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methoxy]cyclohexyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(OC2=O)C(C3=CC=CC=C3)N4CCCCC4)OC

DOS

IR

Vibrations