Geometry & MOs

Info

ID:	433173
PubChem CID:	135173310
Reduced:	ON5C25H27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	225.136493
ΔH_f, kcal/mol:	84.78
Dipole, Da:	4.93
IP(EA), eV:	-8.5(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(azetidine-1-carbonyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C/C=C\C=C/C(=C)[C@@H]1CCC2=NC3=C(N12)C=C(C=C3)C4=CN=C(N=C4)N5CCOCC5

DOS

IR

Vibrations