Geometry & MOs

Info

ID:	180162
PubChem CID:	76587635
Reduced:	OC13H22 (1)
Stoich.:	AB13C22 (1)
Weight, g/mol:	461.267842
ΔH_f, kcal/mol:	-63.84
Dipole, Da:	3.12
IP(EA), eV:	-9.54(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-2,4-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1(C=CC(C(C(=O)C1C)C)C)C

DOS

IR

Vibrations