Geometry & MOs

Info

ID:

424980

PubChem CID:

135124710

Reduced:

N3O4C29H31 (1)

Stoich.:

A3B4C29D31 (1)

Weight, g/mol:

578.289306

ΔHf, kcal/mol:

-132.73

Dipole, Da:

3.57

IP(EA), eV:

 -8.53(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-methoxy-1'-[(4-methoxyphenyl)methyl]-5'-[2-[4-(1-methylpiperidin-4-yl)oxyphenyl]pyrazol-3-yl]spiro[cyclobutane-1,3'-indole]-2'-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC(=CC=C3)NC(=O)C)NC4=C(C=C(C=C4)C(=O)OC)C

DOS

IR

Vibrations