Geometry & MOs

Info

ID:	425691
PubChem CID:	135127403
Reduced:	NH23C35 (1)
Stoich.:	AB23C35 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	138.87
Dipole, Da:	1.28
IP(EA), eV:	-8.09(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z,8Z)-11a-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-6-methyl-10,11-dihydroimidazo[1,5-a][1,4]diazonine-1,3,5-trione

Drug info:

PubChemData

Smile

C1C=CC2=C(N1)C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6C7=CC=CC=C75)C8=CC=CC=C28

DOS

IR

Vibrations