Geometry & MOs

Info

ID:	37001
PubChem CID:	8016046
Reduced:	N2O4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	359.208316
ΔH_f, kcal/mol:	-106.66
Dipole, Da:	7.53
IP(EA), eV:	-9.11(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]propyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=C)C)CC(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations