Geometry & MOs

Info

ID:	124917
PubChem CID:	50903312
Reduced:	NO3C23H37 (1)
Stoich.:	AB3C23D37 (1)
Weight, g/mol:	363.01062
ΔH_f, kcal/mol:	-180.95
Dipole, Da:	2.27
IP(EA), eV:	-9.23(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,7S,7aR)-2-(4-bromophenyl)-4-(hydroxymethyl)-7-methyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H]1C=C([C@H]2[C@H]([C@]1(COC23CCCC3)COC(=O)NC4CCCCC4)C)C

DOS

IR

Vibrations