Geometry & MOs

Info

ID:	233436
PubChem CID:	90944458
Reduced:	O3N4C34H40 (1)
Stoich.:	A3B4C34D40 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-53.23
Dipole, Da:	1.13
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-imidazol-1-ylphenyl)-7-methyl-5,6-dihydro-4H-4,7-epoxyisoindole-1,3-diol

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C(CCCN2C[C@@H]3C[C@H]2CO3)C4=CC=C(C=C4)C=CC(=O)NC5=CC=CC=C5N

DOS

IR

Vibrations