Geometry & MOs

Info

ID:

186406

PubChem CID:

77427310

Reduced:

O2N4H26C27 (1)

Stoich.:

A2B4C26D27 (1)

Weight, g/mol:

590.349301

ΔHf, kcal/mol:

31.31

Dipole, Da:

6.16

IP(EA), eV:

 -9.2(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-1-[2-[4-[4-(hydrazinecarbonyl)phenyl]piperazin-1-yl]prop-2-enyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(C1C(=O)NCCN2C(=O)C(N=C2N)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations