Geometry & MOs

Info

ID:

433522

PubChem CID:

135173661

Reduced:

N7O8C38H41 (1)

Stoich.:

A7B8C38D41 (1)

Weight, g/mol:

420.216141

ΔHf, kcal/mol:

-189.38

Dipole, Da:

13.8

IP(EA), eV:

 -9.09(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NE)-N-[5-[1-[4-(2-methoxyethoxy)butyl]-3-pyridin-4-ylpyrazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

C1CC(=O)NC(C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCN4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N\O)/CC7)O

DOS

IR

Vibrations