Geometry & MOs

Info

ID:

433482

PubChem CID:

135173619

Reduced:

N2O3C21H32 (1)

Stoich.:

A2B3C21D32 (1)

Weight, g/mol:

786.316583

ΔHf, kcal/mol:

-127.02

Dipole, Da:

3.0

IP(EA), eV:

 -8.78(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-2-[4-[3-[3-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]propoxy]phenyl]-1,3-dioxoisoindol-2-yl]-5-oxopentanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=CC=C(C=C1)CCCN2CCN(C[C@@H]2CO)CC(=O)C

DOS

IR

Vibrations