Geometry & MOs

Info

ID:	334848
PubChem CID:	127253654
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	358.116486
ΔH_f, kcal/mol:	-162.56
Dipole, Da:	3.46
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, 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]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CCNC(=O)CCCN1C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4C1=O

DOS

IR

Vibrations