Geometry & MOs

Info

ID:	296919
PubChem CID:	117600860
Reduced:	ClN3H22C28 (1)
Stoich.:	AB3C22D28 (1)
Weight, g/mol:	366.183109
ΔH_f, kcal/mol:	162.97
Dipole, Da:	3.61
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 3-(4-methoxyphenyl)-2-(4-methylphenyl)oxirane-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1C2=NN(C3=CC(=NC=C32)Cl)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations