Geometry & MOs

Info

ID:	216098
PubChem CID:	85085711
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	228.101111
ΔH_f, kcal/mol:	-119.31
Dipole, Da:	3.08
IP(EA), eV:	-10.43(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzyl-2,3-dihydro-1H-imidazo[1,5-a][1,3,5]triazin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(=[N+]=[N-])C(=O)OCC=C

DOS

IR

Vibrations