Geometry & MOs

Info

ID:

244512

PubChem CID:

99356194

Reduced:

N3O4C20H25 (1)

Stoich.:

A3B4C20D25 (1)

Weight, g/mol:

395.232125

ΔHf, kcal/mol:

-166.02

Dipole, Da:

4.67

IP(EA), eV:

 -8.54(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3aS,7aS)-1-(4-methyl-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)C[C@@H](N2C(=O)COC3=CC4=C(C=C3)NC(=O)CC4)C(=O)N

DOS

IR

Vibrations