Geometry & MOs

Info

ID:

169496

PubChem CID:

75110878

Reduced:

NO9C27H43 (1)

Stoich.:

AB9C27D43 (1)

Weight, g/mol:

437.279075

ΔHf, kcal/mol:

-409.94

Dipole, Da:

9.61

IP(EA), eV:

 -9.78(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-6-[(1-methylindol-3-yl)methyl]-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one

Drug info:

PubChemData

Smile

CC(C=C(C)C(C(C)C(=O)CCCC(CC(=O)N)CC(=O)O)O)C(C(C=CCCC=CC(=O)O)OC)O

DOS

IR

Vibrations