Geometry & MOs

Info

ID:

188037

PubChem CID:

77659166

Reduced:

SN7O7C38H47 (1)

Stoich.:

AB7C7D38E47 (1)

Weight, g/mol:

350.210661

ΔHf, kcal/mol:

-215.44

Dipole, Da:

4.35

IP(EA), eV:

 -8.64(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(cyclobutadienyl)-3-[(1-methylpiperidin-3-yl)methyl]-6,7,8,9-tetrahydro-5aH-pyrazolo[3,4-c]isoquinolin-5-one

Drug info:

PubChemData

Smile

CC(C)NC1=CC=CC(=N1)C2=NC(=C3C=CSC3=N2)OC4CC5C(=O)NC6(CC6C=CCCCCCC(C(=O)N5C4)NC(=O)OC7CCCC7)C(=O)O

DOS

IR

Vibrations