Geometry & MOs

Info

ID:	334454
PubChem CID:	127253006
Reduced:	N3O7C33H39 (1)
Stoich.:	A3B7C33D39 (1)
Weight, g/mol:	428.158351
ΔH_f, kcal/mol:	-208.66
Dipole, Da:	10.49
IP(EA), eV:	-8.45(-0.67)
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]-2-(4-methoxyphenoxy)acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCC4=CC=C(C=C4)OC)OC)OC)OC

DOS

IR

Vibrations