Geometry & MOs

Info

ID:	335003
PubChem CID:	127253809
Reduced:	N3O4C28H31 (1)
Stoich.:	A3B4C28D31 (1)
Weight, g/mol:	344.100836
ΔH_f, kcal/mol:	-139.41
Dipole, Da:	3.0
IP(EA), eV:	-9.14(-0.9)
Spin(S_z, 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]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(CCN(CC2C1)C(=O)CCCN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O)O

DOS

IR

Vibrations