Geometry & MOs

Info

ID:	380260
PubChem CID:	134970646
Reduced:	P3C21H35 (1)
Stoich.:	A3B21C35 (1)
Weight, g/mol:	350.05176
ΔH_f, kcal/mol:	43.63
Dipole, Da:	1.18
IP(EA), eV:	-8.1(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-bromo-3-methylphenyl)methyl]-2-methyl-4-oxocyclohex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C12[C@H]3CC3P4C5(C4([P@@]1[C@H]6C[C@H]6[P@@]25)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations