Geometry & MOs

Info

ID:	396447
PubChem CID:	135028427
Reduced:	BrNC14H20 (1)
Stoich.:	ABC14D20 (1)
Weight, g/mol:	423.240959
ΔH_f, kcal/mol:	42.81
Dipole, Da:	2.74
IP(EA), eV:	-8.84(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-benzyl 10-O-ethyl (4S,6R,8S,13R)-11-ethenyl-6-methyl-3-azatricyclo[6.3.2.04,13]tridec-10-ene-3,10-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2[C@@H]3CC(CN2)C(=C(C=C3C1)Br)C

DOS

IR

Vibrations