Geometry & MOs

Info

ID:	170638
PubChem CID:	75262024
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	390.19032
ΔH_f, kcal/mol:	-97.05
Dipole, Da:	2.77
IP(EA), eV:	-8.33(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(dimethylamino)ethyl]-1,3-dimethyl-2,6-dioxo-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C3=C(N2)CCN(C3)C(=O)C4CC(=O)N(C(=O)N4C)C

DOS

IR

Vibrations