Geometry & MOs

Info

ID:	193832
PubChem CID:	78443790
Reduced:	ON5H10C13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	413.1223
ΔH_f, kcal/mol:	89.55
Dipole, Da:	5.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752877
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

C1C(=[NH2+])C(C(=O)N2C1=NC(=N2)C3=CC=CC=C3)C#N

DOS

IR

Vibrations