Geometry & MOs

Info

ID:

395227

PubChem CID:

135024960

Reduced:

O2N3C36H53 (1)

Stoich.:

A2B3C36D53 (1)

Weight, g/mol:

456.371579

ΔHf, kcal/mol:

-97.96

Dipole, Da:

4.48

IP(EA), eV:

 -9.41(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-N-cyclohexyl-N-(cyclohexylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

C[C@]12CCCC(C1CCC(=C)[C@H]2CC(=O)N(C3=NC=CC=N3)C(=O)C[C@H]4C(=C)CC[C@@H]5C4(CCCC5(C)C)C)(C)C

DOS

IR

Vibrations