Geometry & MOs

Info

ID:

445757

PubChem CID:

135269355

Reduced:

O3N4C23H24 (1)

Stoich.:

A3B4C23D24 (1)

Weight, g/mol:

509.219368

ΔHf, kcal/mol:

-52.17

Dipole, Da:

5.37

IP(EA), eV:

 -8.83(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(5-chloropyridin-2-yl)methyl]-5-(4-hydroxybutyl)-7-methyl-2-(4-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-8H-imidazo[4,5-e][1,3]diazepine-4,6-dione

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)OC)N(C1=O)C

DOS

IR

Vibrations