Geometry & MOs

Info

ID:	193961
PubChem CID:	78460254
Reduced:	N2O5C12H20 (1)
Stoich.:	A2B5C12D20 (1)
Weight, g/mol:	409.185136
ΔH_f, kcal/mol:	-220.53
Dipole, Da:	4.05
IP(EA), eV:	-10.09(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2,5-dioxo-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CCOC(=O)C(C=NC(C)C)C(=O)NC(=O)OCC

DOS

IR

Vibrations