Geometry & MOs

Info

ID:	189820
PubChem CID:	77909144
Reduced:	N3O3H25C31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	481.163771
ΔH_f, kcal/mol:	21.66
Dipole, Da:	2.07
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-3-benzylidene-6,7-dihydro-2H-imidazo[1,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1C(N=C2N(CC(=CC3=CC=CC=C3)N2C1=O)CC4=CC5=C(C=C4)OCO5)C6=CC7=CC=CC=C7C=C6

DOS

IR

Vibrations