Geometry & MOs

Info

ID:	36439
PubChem CID:	8006958
Reduced:	N2C11H13 (2)
Stoich.:	A2B11C13 (2)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	83.25
Dipole, Da:	5.37
IP(EA), eV:	-8.2(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)propyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2CN(C3=NC4=CC=CC=C4N3C2)CC5=CC=CC=C5

DOS

IR

Vibrations