Geometry & MOs

Info

ID:

376610

PubChem CID:

134222631

Reduced:

OC6H10 (4)

Stoich.:

AB6C10 (4)

Weight, g/mol:

530.387229

ΔHf, kcal/mol:

-257.97

Dipole, Da:

1.14

IP(EA), eV:

 -10.06(0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-tert-butyl-8-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl)methyl]-1-methyl-2-(3-methylbut-2-en-2-yl)-4-(2-methylpentan-2-yl)benzimidazole

Drug info:

PubChemData

Smile

CC(CCC(=O)O)[C@H]1CC[C@@H]2C1(CCC3C2C(C[C@H]4C3(CCC(C4)O)C)O)C

DOS

IR

Vibrations