Geometry & MOs

Info

ID:	402129
PubChem CID:	135054539
Reduced:	O5C18H20 (2)
Stoich.:	A5B18C20 (2)
Weight, g/mol:	420.178418
ΔH_f, kcal/mol:	-361.62
Dipole, Da:	5.13
IP(EA), eV:	-8.99(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetramethyl (8aS,8bS)-4,5-dimethyl-1,3,6,8,8a,8b-hexahydro-as-indacene-2,2,7,7-tetracarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@H]2[C@@H]3CC(CC3=C(C(=C2C1)COCC4=CC=CC=C4)COCC5=CC=CC=C5)(C(=O)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations