Geometry & MOs

Info

ID:	146169
PubChem CID:	53646397
Reduced:	O4H26C27 (1)
Stoich.:	A4B26C27 (1)
Weight, g/mol:	556.351237
ΔH_f, kcal/mol:	-126.89
Dipole, Da:	7.61
IP(EA), eV:	-8.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(4-methylcyclohexyl)-4,8-bis[(4-methylcyclohexyl)oxy]-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C(=CC=C3)C(=O)O)C45CC6CC(C4)CC(C6)O5

DOS

IR

Vibrations