Geometry & MOs

Info

ID:

334004

PubChem CID:

127252556

Reduced:

ClN2O7H25C30 (1)

Stoich.:

AB2C7D25E30 (1)

Weight, g/mol:

346.152872

ΔHf, kcal/mol:

-174.9

Dipole, Da:

3.85

IP(EA), eV:

 -8.28(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-methoxy-6-methyl-5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C/C(=C\5/NC6=C(O5)C=CC(=C6)C)/C(=O)C=C4

DOS

IR

Vibrations