Geometry & MOs

Info

ID:

449140

PubChem CID:

135296286

Reduced:

N4O4C37H62 (1)

Stoich.:

A4B4C37D62 (1)

Weight, g/mol:

475.217224

ΔHf, kcal/mol:

-216.79

Dipole, Da:

11.64

IP(EA), eV:

 -9.14(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(3-fluoro-5-methylphenyl)indol-2-ylidene]-1,2-dihydroindazol-5-yl]-N-propan-2-ylpyridin-3-amine

Drug info:

PubChemData

Smile

CC1CC(C(CC1NC(=O)C(=C)C)(C)C)(C)NC(=O)/C(=C/C=C(\C)/C(=O)N(C)CC(C)CC(C)(C)CCN(C)C(=O)C(=C)C)/C

DOS

IR

Vibrations