Geometry & MOs

Info

ID:	168999
PubChem CID:	75054173
Reduced:	NOC19H27 (1)
Stoich.:	ABC19D27 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-46.04
Dipole, Da:	3.81
IP(EA), eV:	-8.49(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(4-nitrophenoxy)cyclohexyl]methyl]imidazole

Drug info:

PubChemData

Smile

CC1CC2(CC(N1CC=C(C)C)CC3=C2C=C(C=C3)O)C

DOS

IR

Vibrations