Geometry & MOs

Info

ID:

180239

PubChem CID:

76602989

Reduced:

ClN4O6C30H33 (1)

Stoich.:

AB4C6D30E33 (1)

Weight, g/mol:

535.198632

ΔHf, kcal/mol:

-136.22

Dipole, Da:

2.04

IP(EA), eV:

 -8.99(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[2-[2-[8-chloro-6-(2,3-dimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1]benzazepin-4-yl]ethyl]tetrazol-5-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)CCC2C3=CC=CN3C4=C(C=C(C=C4)Cl)C(O2)C5=C(C(=CC=C5)OC)OC)COC(C)(C)C(=O)O

DOS

IR

Vibrations