Geometry & MOs

Info

ID:	449640
PubChem CID:	135300212
Reduced:	ClON7C27H30 (1)
Stoich.:	ABC7D27E30 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	56.49
Dipole, Da:	4.38
IP(EA), eV:	-8.86(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-methyl-5-oxocyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1CCCN(C1)C2=CN=CN=C2)NC3=C4C=C(C=CC4=NC=C3Cl)C5=CN=C(N=C5)C(C)(C)O

DOS

IR

Vibrations