Geometry & MOs

Info

ID:

163953

PubChem CID:

74381044

Reduced:

O3N4C23H30 (1)

Stoich.:

A3B4C23D30 (1)

Weight, g/mol:

616.181266

ΔHf, kcal/mol:

-64.7

Dipole, Da:

10.16

IP(EA), eV:

 -9.48(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-8-oxo-9-[[4-(trifluoromethyl)phenyl]methyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)OCCN(C)C(=O)C1C=CC2=NC(=O)C3=CN=C(N3C2=C1)C4CCCCC4

DOS

IR

Vibrations