Geometry & MOs

Info

ID:

334659

PubChem CID:

127253334

Reduced:

N4O8C35H40 (1)

Stoich.:

A4B8C35D40 (1)

Weight, g/mol:

334.152872

ΔHf, kcal/mol:

-206.8

Dipole, Da:

8.78

IP(EA), eV:

 -8.57(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)NC(=O)CO2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations