Geometry & MOs

Info

ID:	169001
PubChem CID:	75054344
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	369.130026
ΔH_f, kcal/mol:	-6.3
Dipole, Da:	5.44
IP(EA), eV:	-9.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-[4-nitro-2-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole

Drug info:

PubChemData

Smile

C1CCC(C(C1)CN2C=CN=C2)OC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations