Geometry & MOs

Info

ID:	334259
PubChem CID:	127252811
Reduced:	N3O3C25H41 (1)
Stoich.:	A3B3C25D41 (1)
Weight, g/mol:	412.127051
ΔH_f, kcal/mol:	-141.24
Dipole, Da:	2.6
IP(EA), eV:	-8.46(0.18)
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]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)N(CCOC)C[C@@H]2CCCN3[C@@H]2CCCC3

DOS

IR

Vibrations