Geometry & MOs

Info

ID:

379162

PubChem CID:

134355043

Reduced:

N3H31C41 (1)

Stoich.:

A3B31C41 (1)

Weight, g/mol:

326.282095

ΔHf, kcal/mol:

306.35

Dipole, Da:

2.03

IP(EA), eV:

 -8.54(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CC=CC=C1)C2(C3CC=C=C=C3C4=CC=CC=C42)C5=CC=C(C=C5)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations