Geometry & MOs

Info

ID:

335033

PubChem CID:

127253839

Reduced:

N3O6C34H49 (1)

Stoich.:

A3B6C34D49 (1)

Weight, g/mol:

413.158685

ΔHf, kcal/mol:

-229.98

Dipole, Da:

8.68

IP(EA), eV:

 -8.31(-0.25)

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]-1,6-dimethyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCNC(=O)CCCNC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations